American Mineralogist Crystal Structure Database

196 matching records for this search.

Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at room temperature
_database_code_amcsd 0002317
13.006 8.808 5.850 90 90.34 90 P2_1/a
atom      x      y      z occ   Uiso
Ca   .81285 .37021 .75327     .00855
Fe11 .89018 .04961 .00734 .97 .00736
Mg11 .89018 .04961 .00734 .03 .00736
Fe12 .88999 .05200 .49267 .96 .00662
Al12 .88999 .05200 .49267 .04 .00662
Fe2  .94076 .74006 .24863 .95 .00770
Mn2  .94076 .74006 .24863 .05 .00770
Si1  .95950 .36859 .24925     .00589
Si2  .67948 .22718 .25216     .00601
H     .7381  .0770  .7381       .036
O1   .00992 .02941 .73668     .01007
O21  .93723 .27240 .01584     .00851
O22  .93527 .27256 .48251     .00822
O3   .77743 .10907 .25657     .00817
O41  .67131 .32760 .01900     .00836
O42  .67037 .33147 .48218     .00786
O5   .58487 .10063 .25333     .00816
O6   .60183 .02559 .75255     .01070
O7   .79796 .10924 .74425     .00849
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 400 deg C
_database_code_amcsd 0002318
13.015 8.803 5.842 90 90.16 90 P2_1/a
atom      x      y      z occ   Uiso
Ca   .81287 .37024 .75082     .01025
Fe11 .89008 .05063 .00746 .97 .00869
Mg11 .89008 .05063 .00746 .03 .00869
Fe12 .89002 .05112 .49256 .96 .00844
Al12 .89002 .05112 .49256 .04 .00844
Fe2  .94072 .74001 .24967 .95 .00910
Mn2  .94072 .74001 .24967 .05 .00910
Si1  .95950 .36867 .24978     .00756
Si2  .67940 .22725 .25048     .00770
H     .7368  .0734  .7501       .034
O1   .00972 .02937 .74624     .01339
O21  .93673 .27236 .01684     .00988
O22  .93618 .27256 .48296     .01017
O3   .77741 .10954 .25153     .01054
O41  .67091 .32943 .01879     .01017
O42  .67071 .33023 .48127     .01023
O5   .58492 .10079 .25082     .00920
O6   .60185 .02546 .75058     .01232
O7   .79802 .10917 .74867     .01041
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 450 deg C
_database_code_amcsd 0002319
13.014 8.807 5.846 90 90.10 90 P2_1/a
atom      x      y      z occ   Uiso
Ca   .81287 .37029 .75072     .00958
Fe11 .89007 .05073 .00734 .97 .00807
Mg11 .89007 .05073 .00734 .03 .00807
Fe12 .89000 .05119 .49276 .96 .00799
Al12 .89000 .05119 .49276 .04 .00799
Fe2  .94063 .74003 .24975 .95 .00857
Mn2  .94063 .74003 .24975 .05 .00857
Si1  .95958 .36863 .24986     .00688
Si2  .67950 .22731 .25047     .00689
H     .7394  .0789  .7417       .047
O1   .00985 .02910 .74651     .01293
O21  .93651 .27249 .01682     .00920
O22  .93628 .27240 .48262     .00913
O3   .77748 .10944 .25130     .00967
O41  .67102 .32928 .01863     .00942
O42  .67084 .33013 .48177     .00935
O5   .58485 .10108 .25056     .00907
O6   .60163 .02554 .75061     .01173
O7   .79821 .10931 .74935     .00948
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 500 deg C
_database_code_amcsd 0002320
13.005 8.800 5.847 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81303 .37050    .75     .00956
Fe1  .88996 .05113 .00695 .93 .00802
Mg1  .88996 .05113 .00695 .03 .00802
Al1  .88996 .05113 .00695 .04 .00802
Fe2  .94045 .73995    .25 .95 .00853
Mn2  .94045 .73995    .25 .05 .00853
Si1  .95973 .36848    .25     .00683
Si2  .67954 .22764    .25     .00685
H     .7420  .0727    .75       .062
O1   .01009 .02908    .75     .01288
O2   .93650 .27246 .01687     .00907
O3   .77766 .10957    .25     .00910
O4   .67089 .33005 .01854     .00920
O5   .58510 .10122    .25     .00884
O6   .60152 .02558    .75     .01173
O7   .79861 .10947    .75     .00965
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 550 deg C
_database_code_amcsd 0002321
13.013 8.802 5.849 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81328 .37080    .75     .00891
Fe1  .88981 .05150 .00594 .93 .00758
Mg1  .88981 .05150 .00594 .03 .00758
Al1  .88981 .05150 .00594 .04 .00758
Fe2  .93991 .73990    .25 .95 .00791
Mn2  .93991 .73990    .25 .05 .00791
Si1  .96007 .36831    .25     .00600
Si2  .67993 .22798    .25     .00632
H     .7438  .0535    .75       .196
O1   .01067 .02862    .75     .01195
O2   .93683 .27212 .01684     .00854
O3   .77793 .10975    .25     .00858
O4   .67116 .33030 .01831     .00839
O5   .58548 .10167    .25     .00779
O6   .60102 .02553    .75     .01138
O7   .79899 .10990    .75     .00954
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 600 deg C
_database_code_amcsd 0002322
13.015 8.802 5.847 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81393 .37154    .75     .00945
Fe1  .88955 .05225 .00369 .93 .00790
Mg1  .88955 .05225 .00369 .03 .00790
Al1  .88955 .05225 .00369 .04 .00790
Fe2  .93864 .73969    .25 .95 .00819
Mn2  .93864 .73969    .25 .05 .00819
Si1  .96097 .36795    .25     .00618
Si2  .68078 .22868    .25     .00629
H     .7611  .0717    .75       .088
O1   .01197 .02755    .75     .01270
O2   .93765 .27167 .01674     .00887
O3   .77888 .11065    .25     .00821
O4   .67178 .33119 .01805     .00882
O5   .58608 .10232    .25     .00848
O6   .60011 .02480    .75     .01257
O7   .80060 .11071    .75     .01066
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 615 deg C
_database_code_amcsd 0002323
13.012 8.801 5.850 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81437 .37215    .75     .00880
Fe1  .88933 .05276 .00182 .93 .00750
Mg1  .88933 .05276 .00182 .03 .00750
Al1  .88933 .05276 .00182 .04 .00750
Fe2  .93779 .73957    .25 .95 .00779
Mn2  .93779 .73957    .25 .05 .00779
Si1  .96151 .36769    .25     .00573
Si2  .68148 .22939    .25     .00576
H     .7629  .0549    .75       .115
O1   .01277 .02720    .75     .01215
O2   .93804 .27138 .01656     .00855
O3   .77963 .11118    .25     .00752
O4   .67208 .33193 .01836     .00826
O5   .58682 .10303    .25     .00818
O6   .59924 .02467    .75     .01283
O7   .80151 .11156    .75     .01056
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 625 deg C
_database_code_amcsd 0002324
13.007 8.805 5.844 90 90 90 Pnam
atom      x      y      z occ   Uiso
Ca   .81461 .37226    .75     .00996
Fe1  .88925 .05298 .00143 .93 .00840
Mg1  .88925 .05298 .00143 .03 .00840
Al1  .88925 .05298 .00143 .04 .00840
Fe2  .93739 .73945    .25 .95 .00859
Mn2  .93739 .73945    .25 .05 .00859
Si1  .96180 .36767    .25     .00661
Si2  .68167 .22961    .25     .00658
O1   .01293 .02673    .75     .01315
O2   .93843 .27132 .01651     .00963
O3   .77989 .11128    .25     .00862
O4   .67217 .33186 .01774     .00924
O5   .58696 .10293    .25     .00962
O6   .59906 .02465    .75     .01432
O7   .80173 .11110    .75     .01189
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 660 deg C
_database_code_amcsd 0002325
13.008 8.802 5.842 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81562 .37326     .75     .00957
Fe1  .88880 .05419 -.00169 .93 .00773
Mg1  .88880 .05419 -.00169 .03 .00773
Al1  .88880 .05419 -.00169 .04 .00773
Fe2  .93565 .73917     .25 .95 .00830
Mn2  .93565 .73917     .25 .05 .00830
Si1  .96320 .36724     .25     .00639
Si2  .68289 .23103     .25     .00589
O1   .01464 .02588     .75     .01118
O2   .93945 .27077  .01623     .00937
O3   .78146 .11217     .25     .00818
O4   .67292 .33335  .01754     .00901
O5   .58862 .10440     .25     .00950
O6   .59678 .02416     .75     .01465
O7   .80392 .11225     .75     .01128
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 675 deg C
_database_code_amcsd 0002326
13.013 8.804 5.841 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81593 .37354     .75     .01083
Fe1  .88868 .05457 -.00250 .93 .00878
Mg1  .88868 .05457 -.00250 .03 .00878
Al1  .88868 .05457 -.00250 .04 .00878
Fe2  .93508 .73909     .25 .95 .00950
Mn2  .93508 .73909     .25 .05 .00950
Si1  .96364 .36719     .25     .00757
Si2  .68322 .23152     .25     .00695
O1   .01507 .02534     .75     .01265
O2   .93994 .27073  .01641     .01065
O3   .78199 .11239     .25     .00939
O4   .67321 .33364  .01744     .01038
O5   .58908 .10482     .25     .01108
O6   .59638 .02413     .75     .01602
O7   .80464 .11229     .75     .01247
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol84/AM84_1604.pdf
American Mineralogist 84 (1999) 1604-1612
Structural adjustments induced by heat treatment in ilvaite
Sample: RM at T = 700 deg C
_database_code_amcsd 0002327
13.006 8.804 5.836 90 90 90 Pnam
atom      x      y       z occ   Uiso
Ca   .81636 .37376     .75     .01285
Fe1  .88856 .05505 -.00357 .93 .01016
Mg1  .88856 .05505 -.00357 .03 .01016
Al1  .88856 .05505 -.00357 .04 .01016
Fe2  .93421 .73921     .25 .95 .01120
Mn2  .93421 .73921     .25 .05 .01120
Si1  .96437 .36704     .25     .00966
Si2  .68385 .23199     .25     .00801
O1   .01573 .02467     .75     .01451
O2   .94065 .27065  .01616     .01267
O3   .78262 .11255     .25     .01139
O4   .67356 .33367  .01641     .01305
O5   .58968 .10488     .25     .01315
O6   .59543 .02378     .75     .01897
O7   .80613 .11229     .75     .01357
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Okayamalite
 
Giuli G, Bindi L, Bonazzi P
Download am/vol85/AM85_1512.pdf
American Mineralogist 85 (2000) 1512-1515
Rietveld refinement of okayamalite, Ca2SiB2O7: Structural evidence for the
B/Si ordered distribution
_database_code_amcsd 0002589
7.1248 7.1248 4.8177 90 90 90 P-42_1m
atom     x     y     z Uiso
Ca   .3384 .1616 .5080 .020
SiT1     0     0     0 .019
BT2  .1408 .3592 .9470 .013
O1      .5     0 .1460 .013
O2   .1424 .3576 .2517 .013
O3   .0782 .1777 .8105 .013
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View JMOL 3-D Structure (permalink)
 
Hardystonite
Download hom/hardystonite.pdf
Bindi L, Bonazzi P, Rothlisberger F
Download am/vol86/AM86_747.pdf
American Mineralogist 86 (2001) 747-751
Hardystonite from Franklin Furnace: A natural modulated melilite
_database_code_amcsd 0002657
7.800 7.800 5.000 90 90 90 P-42_1m
atom     x     y     z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaX  .3326 .1674 .5059 .93  .0240  .0240  .0140  .0104  .0016 -.0016
NaX  .3326 .1674 .5059 .07  .0240  .0240  .0140  .0104  .0016 -.0016
Zn1      0     0     0 .85  .0125  .0125  .0127      0      0      0
Al1      0     0     0 .07  .0125  .0125  .0127      0      0      0
Mg1      0     0     0 .03  .0125  .0125  .0127      0      0      0
Mn1      0     0     0 .04  .0125  .0125  .0127      0      0      0
Fe1      0     0     0 .02  .0125  .0125  .0127      0      0      0
Si2  .1400 .3600 .9386      .0124  .0124  .0099  .0006  .0005 -.0005
O1      .5     0 .1777       .038   .038   .009  -.026      0      0
O2   .1410 .3590 .2569       .027   .027   .011   .010  -.002   .002
O3   .0820 .1872 .7867       .045   .020   .017  -.010   .009  -.003
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View JMOL 3-D Structure (permalink)
 
Leightonite
Download hom/leightonite.pdf
Menchetti S, Bindi L, Bonazzi P, Olmi F
Download am/vol87/AM87_721.pdf
American Mineralogist 87 (2002) 721-725
Disordered distribution of Cu in the crystal structure of leightonite,
K2Ca2Cu(SO4)4.2H2O
_database_code_amcsd 0002814
11.654 7.497 10.097 90 125.21 90 C2/c
atom     x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K    .5889  .6223 .4264  .5 .0182  .0186  .0155  .0210 -.0001  .0117 -.0027
Wat  .5889  .6223 .4264  .5 .0182  .0186  .0155  .0210 -.0001  .0117 -.0027
Ca     1/2  .1261   .25     .0112  .0101  .0094  .0133      0  .0062      0
Cu1    .25    3/4     0 .37 .0114  .0102  .0094  .0126 -.0036  .0054 -.0007
Cu2      0      0     0 .31 .0135   .012   .011   .020  -.003   .010   .011
S    .6935  .1228 .6374     .0096  .0079  .0108  .0081 -.0017  .0035 -.0004
O1   .8544  .5914 .7579     .0167   .015   .022   .013   .004   .008  -.002
O2   .6599 -.0317 .5290     .0177   .018   .015   .016  -.003   .008  -.004
O3   .6546  .6558 .7624     .0161   .007   .022   .015   .004   .004   .001
O4   .6163  .2760 .5289     .0185   .019   .018   .018   .009   .010   .011
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View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from Perda Niedda mine, Sardinia, Italy
Sample: PN6-RT, Crystal at room temperature
_database_code_amcsd 0002848
13.014 8.867 5.838 90 90 90 Pnam
atom      x      y      z occ  Uiso
CaA  .81315 .37051    .75 .98 .0087
MnA  .81315 .37051    .75 .02 .0087
FeM1 .89039 .05037 .00620     .0072
MnM2 .93911 .73858    .25 .72 .0075
FeM2 .93911 .73858    .25 .28 .0075
Si1  .95892 .36652    .25     .0060
Si2  .67992 .22666    .25     .0060
O1    .0093  .0250    .75     .0124
O2    .9367  .2712  .0152     .0086
O3    .7771  .1081    .25     .0088
O4    .6716  .3292  .0183     .0086
O5    .5844  .1025    .25     .0085
O6    .6039  .0207    .75     .0121
O7    .7978  .1100    .75     .0087
H      .737   .068    .75      .026
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-400, Crystal at room temperature, annealed at 400 C for 48 hrs
_database_code_amcsd 0002849
13.015 8.868 5.842 90 90 90 Pnam
atom      x      y      z occ  Uiso
CaA  .81319 .37053    .75 .98 .0084
MnA  .81319 .37053    .75 .02 .0084
FeM1 .89034 .05046 .00585     .0071
MnM2 .93914 .73861    .25 .72 .0072
FeM2 .93914 .73861    .25 .28 .0072
Si1  .95900 .36670    .25     .0057
Si2  .67995 .22664    .25     .0059
O1    .0096  .0257    .75     .0123
O2    .9367  .2714  .0155     .0085
O3    .7771  .1080    .25     .0086
O4    .6716  .3292  .0186     .0082
O5    .5846  .1022    .25     .0081
O6    .6036  .0211    .75     .0121
O7    .7978  .1101    .75     .0085
H      .740   .071    .75      .018
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-500, Crystal at room temperature, annealed at 500 C for 48 hrs
_database_code_amcsd 0002850
13.008 8.865 5.845 90 90 90 Pnam
atom      x      y      z occ   Uiso
CaA  .81372 .37114    .75 .98  .0089
MnA  .81372 .37114    .75 .02  .0089
FeM1 .89014 .05101 .00451      .0074
MnM2 .93837 .73842    .25 .72  .0077
FeM2 .93837 .73842    .25 .28  .0077
Si1  .95958 .36646    .25      .0060
Si2  .68051 .22740    .25      .0062
O1    .0100  .0252    .75     .01231
O2    .9372  .2711  .0155      .0088
O3    .7776  .1089    .25      .0085
O4    .6720  .3299  .0184      .0083
O5    .5850  .1031    .25      .0082
O6    .6028  .0208    .75      .0128
O7    .7983  .1113    .75      .0094
H      .746   .070    .75        .05
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-600, Crystal at room temperature, annealed at 600 C for 48 hrs
_database_code_amcsd 0002851
12.993 8.864 5.837 90 90 90 Pnam
atom      x      y       z occ  Uiso
CaA  .81602 .37350     .75 .98 .0102
MnA  .81602 .37350     .75 .02 .0102
FeM1 .88944 .05336 -.00094     .0086
MnM2 .93451 .73764     .25 .72 .0092
FeM2 .93451 .73764     .25 .28 .0092
Si1   .9623  .3655     .25     .0069
Si2   .6829  .2303     .25     .0071
O1    .0132  .0229     .75     .0127
O2    .9393  .2699   .0151     .0105
O3    .7809  .1111     .25     .0085
O4    .6734  .3326   .0184     .0094
O5    .5880  .1054     .25     .0111
O6    .5995  .0195     .75     .0172
O7    .8026  .1140     .75     .0121
H      .788   .058     .75       .07
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Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-650, Crystal at room temperature, annealed at 650 C for 48 hrs
_database_code_amcsd 0002852
12.983 8.868 5.822 90 90 90 Pnam
atom      x      y       z occ  Uiso
CaA  .81841 .37552     .75 .98 .0108
MnA  .81841 .37552     .75 .02 .0108
FeM1 .88865 .05553 -.00472     .0081
MnM2 .93070 .73692     .25 .72 .0094
FeM2 .93070 .73692     .25 .28 .0094
Si1   .9647  .3644     .25     .0075
Si2   .6853  .2333     .25     .0066
O1    .0149  .0214     .75     .0112
O2    .9423  .2690   .0147     .0103
O3    .7832  .1139     .25     .0092
O4    .6757  .3351   .0168     .0101
O5    .5908  .1083     .25     .0109
O6    .5959  .0184     .75     .0173
O7    .8067  .1147     .75     .0113
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Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-675, Crystal at room temperature, annealed at 675 C for 48 hrs
_database_code_amcsd 0002853
12.992 8.869 5.820 90 90 90 Pnam
atom      x      y       z occ  Uiso
CaA  .81901 .37614     .75 .98 .0114
MnA  .81901 .37614     .75 .02 .0114
FeM1 .88846 .05634 -.00567     .0081
MnM2 .92967 .73665     .25 .72 .0097
FeM2 .92967 .73665     .25 .28 .0097
Si1   .9654  .3644     .25     .0080
Si2   .6861  .2343     .25     .0065
O1    .0154  .0212     .75     .0114
O2    .9430  .2687   .0147     .0109
O3    .7838  .1148     .25     .0095
O4    .6761  .3359   .0164     .0103
O5    .5917  .1089     .25     .0107
O6    .5951  .0183     .75     .0182
O7    .8074  .1149     .75     .0110
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Ilvaite
Download hom/ilvaite.pdf
Bonazzi P, Bindi L
Download am/vol87/AM87_845.pdf
American Mineralogist 87 (2002) 845-852
Structural properties and heat-induced oxidation-dehydrogenation of
manganoan ilvaite from perda Niedda mine, Sardinia, Italy
Sample: PN6-690, Crystal at room temperature, annealed at 690 C for 48 hrs
_database_code_amcsd 0002854
13.015 8.873 5.816 90 90 90 Pnam
atom      x      y       z occ   Uiso
CaA  .81955 .37599     .75 .98  .0132
MnA  .81955 .37599     .75 .02  .0132
FeM1 .88830 .05682 -.00600      .0094
MnM2 .92869 .73676     .25 .72 .01110
FeM2 .92869 .73676     .25 .28 .01110
Si1   .9666  .3638     .25      .0095
Si2   .6869  .2349     .25      .0073
O1    .0162  .0198     .75      .0137
O2    .9439  .2683   .0143      .0125
O3    .7850  .1144     .25      .0120
O4    .6761  .3358   .0159      .0135
O5    .5922  .1091     .25      .0128
O6    .5928  .0181     .75      .0219
O7    .8095  .1151     .75      .0114
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Gatelite-(Ce)
 
Bonazzi P, Bindi L, Parodi G C
Download am/vol88/AM88_223.pdf
American Mineralogist 88 (2003) 223-228
Gatelite-(Ce), a new REE-bearing mineral from Trimouns, French Pyrenees:
Crystal structure and polysomatic relationships with epidote and
tornebohmite-(Ce)
_database_code_amcsd 0002975
17.770 5.651 17.458 90 116.18 90 P2_1/a
atom       x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1  .36462 .25491 .41008     .0108  .0131  .0103  .0095 -.0022  .0056  .0022
CeA2  .44606 .23572 .25014 .98 .0075  .0071  .0082  .0060  .0003  .0019  .0001
CaA2  .44606 .23572 .25014 .02 .0075  .0071  .0082  .0060  .0003  .0019  .0001
CeA3  .36921 .28197 .00984 .96 .0097  .0118  .0093  .0057  .0010  .0018  .0004
CaA3  .36921 .28197 .00984 .04 .0097  .0118  .0093  .0057  .0010  .0018  .0004
CeA4  .03878 .74136 .16607 .95 .0078  .0068  .0089  .0062  .0003  .0017  .0003
CaA4  .03878 .74136 .16607 .05 .0078  .0068  .0089  .0062  .0003  .0017  .0003
AlM1   .2497  .4972  .5005 .80 .0102  .0088  .0106  .0103  .0014  .0034  .0016
MgM1   .2497  .4972  .5005 .20 .0102  .0088  .0106  .0103  .0014  .0034  .0016
AlM2a  .2400  .4993  .2030     .0058  .0052  .0050  .0067  .0006  .0023  .0009
AlM2b  .2402  .0003  .2064     .0057  .0053  .0049  .0069  .0005  .0028 -.0005
FeM3   .0987  .7500  .3769 .35 .0108  .0077  .0109  .0148  .0034  .0058  .0045
MgM3   .0987  .7500  .3769 .34 .0108  .0077  .0109  .0148  .0034  .0058  .0045
AlM3   .0987  .7500  .3769 .31 .0108  .0077  .0109  .0148  .0034  .0058  .0045
Si1    .0807  .2479  .4765     .0064  .0052  .0064  .0061  .0003  .0010 -.0006
Si2    .4023  .7496  .3350     .0053  .0056  .0046  .0058  .0004  .0025 -.0007
Si3    .1521  .2467  .3127     .0055  .0042  .0069  .0051  .0004  .0018  .0001
Si4    .3350  .7381  .1031     .0057  .0056  .0049  .0064  .0005  .0024  .0001
Si5    .0771  .2505  .0772     .0059  .0061  .0051  .0049 -.0004  .0009  .0004
O1a    .1322  .4903  .4807     .0101   .010   .007   .014  -.003   .005  -.002
O1b    .3678  .5052  .5211     .0121   .009   .006   .022  -.001   .008  -.001
O2a    .0899  .4733  .2904     .0112   .013   .012   .011   .004   .007   .001
O2b    .0897  .0215  .2893     .0104   .009   .013   .012  -.003   .007  -.003
O3a    .3450  .9876  .2993     .0096   .007   .006   .010  -.002  -.001   .001
O3b    .3472  .5118  .2954     .0078   .005   .009   .009  -.004   .003  -.001
O4     .2224  .7471  .4242     .0087   .009   .008   .009  -.002   .003  -.001
O5     .2258  .2461  .4126     .0094   .008   .011   .009   .002   .003   .001
O6     .2083  .2530  .2587     .0072   .006   .007   .011   .001   .006   .002
O7    -.0101 .24969  .3976     .0173   .006   .013   .019  -.006  -.007   .010
O8    -.0224 .73239  .3100     .0151   .011   .020   .018   .002   .010   .002
O9     .4349  .7400  .4380     .0147   .013   .027   .008  -.001   .008   .003
O10    .2789  .2483  .1614     .0072   .008   .005   .009  -.001   .004   .002
O11    .2019  .7475  .2490     .0089   .009   .010   .008   .000   .004  -.001
O12    .2692  .7544  .1471     .0075   .006   .009   .008   .001   .003  -.001
O13    .1347  .4928  .1058     .0089   .009   .008   .007  -.001   .001   .001
O14    .3917  .9758  .1246     .0089   .007   .009   .011  -.002   .005  -.001
O15    .2758  .6711  .0046     .0115   .012   .014   .006  -.003   .002  -.001
O16    .1335  .0108  .1145     .0091   .007   .006   .011   .001   .001   .001
O17    .0323  .2178 -.0243     .0234   .034   .021   .006  -.014   .001  -.001
O18    .4032  .5230  .1411     .0093   .012   .006   .009   .002   .004   .002
O19    .0105  .2753  .1157     .0165   .012   .019   .023  -.002   .012  -.005
H1       .21    .75    .31       .06
H2       .25    .28    .10       .04
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Augite
Download hom/augite.pdf
Bindi L, Safonov O G, Yapaskurt V O, Perchuk L L, Menchetti S
Download am/vol88/AM88_464.pdf
American Mineralogist 88 (2003) 464-468
Ultrapotassic clinopyroxene from the Kumdy-Kol microdiamond mine, Kokchetav
Complex, Kazakhstan: Occurrence, composition and crystal-chemical characterization
_database_code_amcsd 0002990
9.773 8.926 5.269 90 105.75 90 C2/c
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca2       0 .30131 .25000  .61 .0110  .0124  .0105  .0064      0 -.0035      0
Fe2       0 .30131 .25000  .13 .0110  .0124  .0105  .0064      0 -.0035      0
Mg2       0 .30131 .25000  .04 .0110  .0124  .0105  .0064      0 -.0035      0
Mn2       0 .30131 .25000  .01 .0110  .0124  .0105  .0064      0 -.0035      0
K2        0 .30131 .25000  .17 .0110  .0124  .0105  .0064      0 -.0035      0
Na2       0 .30131 .25000  .05 .0110  .0124  .0105  .0064      0 -.0035      0
Al1       0 .90339 .25000  .61 .0086  .0095  .0091  .0067      0  .0016      0
Mg1       0 .90339 .25000  .39 .0086  .0095  .0091  .0067      0  .0016      0
SiT  .28752 .09211 .23187 .805 .0068  .0073  .0083  .0051 -.0020  .0022  .0006
AlT  .28752 .09211 .23187 .195 .0068  .0073  .0083  .0051 -.0020  .0022  .0006
O1    .1148  .0867  .1462      .0103  .0074  .0117  .0119  .0006  .0031  .0007
O2    .3614  .2496  .3201      .0118  .0137  .0117  .0119 -.0074  .0066  .0004
O3    .3490  .0191  .9871      .0118  .0115  .0145  .0091 -.0062  .0025 -.0061
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Alacranite
Download hom/alacranite.pdf
Bonazzi P, Bindi L, Popova V, Pratesi G, Menchetti S
Download am/vol88/AM88_1796.pdf
American Mineralogist 88 (2003) 1796-1800
Alacranite, As8S9: structural study of the holotype and re-assignment
of the original chemical formula
_database_code_amcsd 0003185
9.942 9.601 9.178 90 101.94 90 P2/c
atom     x     y      z Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .0190 .2227  .9418 .058   .054   .075   .043   .011   .008   .018
As2  .1653 .4149  .8541 .049   .036   .043   .064  -.003   .001  -.009
As3  .4408 .3214  .4333 .043   .058   .035   .037  -.010   .013  -.005
As4  .3750 .0312  .1774 .045   .057   .045   .036  -.017   .015  -.015
S1       0 .0768    3/4 .072   .082   .034   .098      0   .012      0
S2       0 .5590    3/4 .097   .076   .031   .165      0  -.020      0
S3   .1854 .3210  .6404 .067   .034   .117   .053  -.005   .021   .002
S4   .2806 .1733  .3216 .036   .029   .051   .035   .008   .019  -.006
S5     1/2 .4457    .25 .046   .071   .031   .043      0   .027      0
S6   .3944 .1671 -.0114 .045   .056   .040   .037   .009   .008   .007
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Empressite
Download hom/empressite.pdf
Bindi L, Spry P G, Cipriani C
Download am/vol89/AM89_1043.pdf
American Mineralogist 89 (2004) 1043-1047
Empressite, AgTe, from the Empress-Josephine Mine, Colorado, USA:
Composition, physical properties, and determination of the crystal structure
_database_code_amcsd 0003585
8.882 20.100 4.614 90 90 90 Pmnb
atom     x      y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1    .75 .05130 .1669 .0352  .0434  .0330  .0293      0      0  .0069
Ag2    .25 .15582 .7433 .0325  .0317  .0321  .0337      0      0  .0073
Ag3  .5201 .06565 .6499 .0514  .0427  .0517  .0599  .0224 -.0233 -.0336
Te1  .5228 .15783 .0999 .0165  .0140  .0168  .0187  .0004  .0019  .0003
Te2    .25 .26324 .3510 .0163  .0164  .0152  .0172      0      0 -.0012
Te3    .25 .03365 .3417 .0174  .0149  .0158  .0214      0      0  .0005
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Muthmannite
Download hom/muthmannite.pdf
Bindi L, Cipriani C
Download am/vol89/AM89_1505.pdf
American Mineralogist 89 (2004) 1505-1509
Ordered distribution of Au and Ag in the crystal structure of muthmannite,
AuAgTe2, a rare telluride from Sacarimb, Western Romania
_database_code_amcsd 0003649
5.124 4.419 7.437 90 89.96 90 P2/m
atom      x  y     z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Au1       0  0     0 .0233  .0225  .0241  .0234      0 -.0003      0
Au2       0  0    .5 .0265  .0256  .0271  .0267      0  .0001      0
Ag1      .5 .5     0 .0303  .0281  .0321  .0308      0 -.0002      0
Ag2      .5 .5    .5 .0309  .0291  .0324  .0312      0 -.0007      0
Te1   .6277  0 .2509 .0270  .0255  .0284  .0272      0 -.0003      0
Te2   .1089 .5 .2582 .0298  .0282  .0311  .0299      0 -.0002      0
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Wakabayashilite
Download hom/wakabayashilite.pdf
Bonazzi P, Lampronti G I, Bindi L, Zandari S
Download am/vol90/AM90_1108.pdf
American Mineralogist 90 (2005) 1108-1114
Wakabayashilite, [(As,Sb)6S9][As4S5]: crystal structure, psuedosymmetry, twinning,
and revised chemical formula
Sample: White Caps Mine, Nevada
_database_code_amcsd 0003797
25.262 14.563 6.492 90 90 90 Pna2_1
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .4694 .2798 .2510 .79  .041   .036   .049   .037  -.005  -.000   .004
Sb1  .4694 .2798 .2510 .21  .041   .036   .049   .037  -.005  -.000   .004
As2  .4398 .2207 .7445     .0416   .034   .050   .041   .005  -.001  -.003
As3  .3752 .4355 .7495 .81  .039   .031   .053   .033   .002   .004   .001
Sb3  .3752 .4355 .7495 .19  .039   .031   .053   .033   .002   .004   .001
As4  .3309 .4503 .2427 .98  .038   .038   .046   .032   .000   .004  -.001
Sb4  .3309 .4503 .2427 .02  .038   .038   .046   .032   .000   .004  -.001
As5  .0948 .1560 .7508 .81  .040   .041   .047   .034  -.004   .002   .008
Sb5  .0948 .1560 .7508 .19  .040   .041   .047   .034  -.004   .002   .008
As6  .1098 .2295 .2438 .91  .042   .036   .052   .037   .001   .002   .002
Sb6  .1098 .2295 .2438 .09  .042   .036   .052   .037   .001   .002   .002
As7  .3289 .0167  .758      .071   .074   .076   .062  -.024   .013  -.018
As8  .2964 .1114  .432      .079   .044   .071   .122  -.010   .016  -.023
As9  .2129 .3614 .8339     .0387   .039   .045   .032  -.005  -.001  -.004
As10 .0770 .4973  .843      .064   .054   .061   .076   .002   .021   .005
S1   .4946 .1738  .997      .046   .041   .068   .029   .005  -.004  -.005
S2   .0011 .3218  .494      .041   .036   .051   .036 -.0010  -.002   .004
S3   .4589 .3746  .745      .047   .039   .041   .060   .003 -.0012   .001
S4   .3393 .3371  .995      .039   .033   .053   .032  -.006   .006   .005
S5   .3344 .3451  .497      .046   .050   .046   .043  -.013  -.004   .004
S6   .4169 .4970  .247      .047   .038   .041   .062   .002  -.014  -.008
S7   .1623 .1601  .998      .037   .032   .038   .041  -.006   .001  -.002
S8   .1607 .1683  .500      .047   .032   .068   .041   .008   .001  -.012
S9   .0431 .1225  .243      .044   .037   .039   .055   .002   .005  -.004
S10  .2528 .0020  .260      .058   .048   .067   .060   .004   .005   .015
S11  .2077 .3802  .179      .050   .047   .048   .054   .003  -.005   .007
S12  .1267 .3779  .723      .046   .046   .033   .058   .007  -.008  -.011
S13  .0876 .4987  .189      .058   .047   .065   .063   .007  -.004   .005
S14  .3726 .1209  .256      .050   .056   .037   .056   .008   .003   .002
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Bazhenovite
Download hom/bazhenovite.pdf
Bindi L, Bonazzi P, Dei L, Zoppi A
Download am/vol90/AM90_1556.pdf
American Mineralogist 90 (2005) 1556-1562
Does the bazhenovite structure really contain a thiosulfate group?
A structural and spectroscopic study of a sample from the type locality
Sample: Chelyabinsk coal basin, South Urals, Russia
_database_code_amcsd 0003932
8.391 17.346 8.221 90 119.33 90 P2_1/c
atom      x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1   .2548 .2476 .3706     .0261   .020   .039   .015  -.010   .005  -.005
Ca2   .7542 .2475 .6201     .0279   .020   .046   .012   .006   .003   .003
O1    .1303 .3186 .0641      .035   .038   .036   .030  -.001   .016   .002
O2    .3739 .3207 .6730      .027   .014   .053   .014  -.004   .008  -.002
O3    .7512 .3153 .8665      .033   .023   .045   .031  -.001   .014   .001
O4    .5105 .3231 .3983      .032   .013   .044   .029  -.012   .003  -.005
O5    .0007 .1745 .1438      .027   .030   .044   .023  -.003   .025  -.004
O6    .5063 .1722 .5943      .027   .038   .038   .008  -.006   .013  -.007
O7   -.0036 .3249 .3393      .036   .020   .043   .041   .001   .012  -.001
Ow1    .350  .496  .816 .60  .070   .058   .060   .080  -.007   .024  -.002
Ow2    .312  .473  .658 .40  .089   .100   .016   .179   .055   .090   .049
S1     .811  .504  .897 .44  .050   .061   .055   .030  -.006   .019  -.001
S2     .761  .502  .786 .44  .049   .095   .028   .034   .005   .040  -.003
S3     .904  .500  .672 .34  .091   .136   .089   .086  -.032   .084  -.028
S4    -.006  .498  .199 .51  .092   .169   .053   .056  -.021   .055  -.012
S5     .580  .499  .653 .23  .078   .090   .106   .016  -.005   .009  -.021
S6     .438  .494  .520 .23  .050   .104   .038   .037   .001   .056   .005
H1a    .004  .312  .004
H1b    .173  .368  .108
H2a    .500  .320  .745
H3b    .770  .367  .853
H4b    .499  .383  .407
H46a   .508  .325  .247
H5b   -.040  .377  .649
H57a  -.002  .325  .491
Hw1    .288  .497  .875 .60
Hw2    .351  .531  .729 .60
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Leadhillite
Download hom/leadhillite.pdf
Bindi L, Menchetti S
Download am/vol90/AM90_1641.pdf
American Mineralogist 90 (2005) 1641-1647
Structural changes accompanying the phase transformation between leadhillite
and susannite: a structural study by means of in situ high-temperature single-
crystal X-ray diffraction
Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran
Sample: T = 25 C
_database_code_amcsd 0003938
9.104 20.792 11.577 90 90.50 90 P2_1/a
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1a .41786 .17889 .10828 .02532  .0253  .0252  .0255  .0002  .0003 -.0001
Pb1b .42953 .43245 .10341 .02627  .0262  .0262  .0264 -.0004  .0003 -.0001
Pb1c .41429 .69339 .09389 .02514  .0253  .0250  .0251 -.0001  .0001  .0002
Pb1d .40651 .93851 .10321 .02416  .0242  .0243  .0240 -.0002  .0004  .0002
Pb2a .62598 .04793 .32112 .02337  .0233  .0236  .0232  .0002  .0001  .0001
Pb2b .55846 .28260 .33797 .02450  .0246  .0245  .0245  .0001  .0001  .0001
Pb2c .53538 .57362 .31877 .02629  .0260  .0262  .0267  .0002  .0003 -.0001
Pb2d .60782 .83185 .31875 .02696  .0271  .0269  .0268 -.0002  .0002  .0002
SA    .2297  .0737  .4879  .0430   .044   .041   .044   .002   .001   .001
SB    .2385  .3175  .5132  .0458   .045   .046   .046  -.002   .002   .004
CA    .2550  .0577  .1583   .019   .014   .022   .020   .004  -.002   .001
CB    .2574  .3127  .1461   .022   .018   .021   .027  -.001  -.002  -.001
CC    .2513  .5632  .1235   .020   .020   .013   .029   .001  -.001   .001
CD    .2490  .8098  .1565   .018   .016   .023   .014   .001  -.003   .002
O1a   .0733  .0868  .4662   .056   .059   .056   .052  -.007   .002   .003
O1b   .1004  .2811  .5416   .056   .057   .061   .051   .008   .002   .001
O2a   .3001  .1378  .4754   .047   .045   .045   .051   .006   .002  -.002
O2b   .2084  .3866  .5109   .049   .051   .041   .056  -.003   .001   .006
O3a   .2844  .0248  .4110   .055   .052   .054   .060  -.006  -.001  -.001
O3b   .2915  .2927  .3989   .049   .047   .050   .051   .007  -.002   .005
O4a   .2413  .0550  .6143   .050   .050   .052   .047   .003   .001   .001
O4b   .3451  .3045  .6065   .050   .046   .055   .050  -.007  -.004  -.005
O5a   .1851  .0049  .1507   .053   .059   .043   .056  -.001  -.001   .007
O5b   .1835  .2583  .1524   .060   .060   .066   .053   .005  -.001   .002
O5c   .1832  .5083  .1304   .046   .047   .048   .043   .005   .008   .001
O5d   .1725  .7581  .1384   .055   .060   .054   .053   .002  -.001   .003
O6a   .3947  .0564  .1505   .059   .059   .052   .065  -.009  -.017   .006
O6b   .4009  .3103  .1474   .061   .059   .054   .069  -.009  -.013   .002
O6c   .3945  .5621  .1242   .052   .059   .045   .053   .001  -.023   .006
O6d   .3861  .8061  .1498   .059   .047   .052   .079  -.001  -.021   .001
O7a   .1826  .1137  .1636   .056   .056   .057   .054   .006  -.006   .001
O7b   .1839  .3664  .1323   .056   .060   .056   .051  -.003   .003  -.001
O7c   .1728  .6160  .1187   .049   .053   .046   .049  -.012  -.001  -.001
O7d   .1813  .8672  .1512   .051   .059   .054   .038  -.001  -.005  -.004
OHa   .4663  .1840  .2936   .054   .043   .063   .057   .003  -.005   .004
OHb   .3858  .4481  .2877   .052   .063   .042   .050  -.001   .003  -.002
OHc   .3865  .6714  .2837   .047   .053   .045   .042  -.003   .001   .003
OHd   .4692  .9354  .2905   .048   .032   .052   .060   .002   .003  -.001
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Susannite
Download hom/susannite.pdf
Bindi L, Menchetti S
Download am/vol90/AM90_1641.pdf
American Mineralogist 90 (2005) 1641-1647
Structural changes accompanying the phase transformation between leadhillite
and susannite: a structural study by means of in situ high-temperature single-
crystal X-ray diffraction
Sample: Chah Mileh Mine, Anarak District, Esfahan Province, Iran
Sample: T = 82 C
_database_code_amcsd 0003939
9.077 9.077 11.611 90 90 120 P3
atom     x      y      z   Uiso
Pb1  .6677  .9881   .020   .038
Pb2  .3481  .0136   .816   .036
Pb3  .6710  .9458   .592   .036
Pb4  .6607  .6117   .241   .035
S1     2/3    1/3    .43   .042
S2     1/3    2/3    .41   .051
S3       0      0    .41   .051
C1       0      0    .07   .029
C2     1/3    2/3    .07   .031
C3     2/3    1/3    .05   .031
C4     1/3    2/3    .78   .031
C5       0      0    .78   .030
C6     2/3    1/3    .76   .029
O1     .66    .03   .214   .056
O2     .36    .03   .607    .05
O3     .86   -.14    .06   .065
O4     .47   -.32    .06   .068
O5     .66    .47    .04   .068
O6     .48   -.19    .77   .060
O7    .998   -.14    .77   .061
O8     .52    .33    .75   .064
O9     2/3    1/3    .31   .053
O10    .83    .38    .46   .050
O11    1/3    2/3    .53   .062
O12    .51    .76    .37   .063
O13      0      0    .53   .069
O14    .17   .111    .37   .061
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Mutnovskite
 
Zelenski M, Balic-Zunic T, Bindi L, Garavelli A, Makovicky E, Pinto D, Vurro F
Download am/vol91/AM91_21.pdf
American Mineralogist 91 (2006) 21-28
First occurrence of iodine in natural sulfosalts: the case of mutnovskite, Pb2AsS3(I,Cl,Br),
a new mineral from Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
_database_code_amcsd 0003993
11.543 6.6764 9.359 90 90 90 Pnma
atom      x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1  .37509   .25 .19184      .0409  .0342  .0539  .0347      0 -.0073      0
Pb2  .17188   .75 .21713      .0512  .0363  .0817  .0355      0 -.0052      0
As    .9213   .75  .0355  .98 .0268  .0199  .0358  .0246      0 -.0013      0
Bi    .9213   .75  .0355  .02 .0268  .0199  .0358  .0246      0 -.0013      0
S1    .2969 .9998  .4194 .993 .0310   .037   .026   .030   .002  -.001   .001
Se1   .2969 .9998  .4194 .007 .0310   .037   .026   .030   .002  -.001   .001
S2    .5985   .25  .2968 .993  .038   .024   .066   .022     .0  -.004      0
Se2   .5985   .25  .2968 .007  .038   .024   .066   .022     .0  -.004      0
IX    .9544   .75  .4017  .46 .0342  .0283   .046   .028      0 -.0017      0
ClX   .9544   .75  .4017  .45 .0342  .0283   .046   .028      0 -.0017      0
BrX   .9544   .75  .4017  .09 .0342  .0283   .046   .028      0 -.0017      0
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Melliniite
 
Pratesi G, Bindi L, Moggi-Cecchi V
Download am/vol91/AM91_451.pdf
American Mineralogist 91 (2006) 451-454
Icosahedral coordination of phosphorus in the crystal structure of melliniite,
a new phosphide mineral from the Northwest Africa 1054 acapulcoite
_database_code_amcsd 0004124
6.025 6.025 6.025 90 90 90 P2_13
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ni1  .11684 .20686 .45493 .58 .0290  .0295  .0289  .0286  .0001 -.0002  .0001
Fe1  .11684 .20686 .45493 .42 .0290  .0295  .0289  .0286  .0001 -.0002  .0001
Ni2   .6803  .6803  .6803 .58 .0261  .0261  .0261  .0261  .0004  .0004  .0004
Fe2   .6803  .6803  .6803 .42 .0261  .0261  .0261  .0261  .0004  .0004  .0004
P     .0622  .0622  .0622     .0242  .0242  .0242  .0242 -.0003 -.0003 -.0003
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Pyrochlore
Download hom/pyrochlore.pdf
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F
Download am/vol91/AM91_794.pdf
American Mineralogist 91 (2006) 794-801
Single-crystal diffraction and transmission electron microscopy studies
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
Locality: Narssarssk, Julianehaab district, Greenland
Sample: 396a
_database_code_amcsd 0004144
10.4200 10.4200 10.4200 90 90 90 *Fd-3m
.125 .125 .125
atom     x    y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5   .5   .5 .185  .024   .024   .024   .024  .0011  .0011  .0011
K       .5   .5   .5 .010  .024   .024   .024   .024  .0011  .0011  .0011
Ca      .5   .5   .5 .365  .024   .024   .024   .024  .0011  .0011  .0011
Sr      .5   .5   .5 .035  .024   .024   .024   .024  .0011  .0011  .0011
Mn      .5   .5   .5 .020  .024   .024   .024   .024  .0011  .0011  .0011
Pb      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
La      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
Ce      .5   .5   .5 .015  .024   .024   .024   .024  .0011  .0011  .0011
Nd      .5   .5   .5 .005  .024   .024   .024   .024  .0011  .0011  .0011
U       .5   .5   .5 .010  .024   .024   .024   .024  .0011  .0011  .0011
Nb       0    0    0 .860 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Ta       0    0    0 .010 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Ti       0    0    0 .080 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Si       0    0    0 .035 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
Fe       0    0    0 .015 .0198  .0198  .0198  .0198 -.0018 -.0018 -.0018
O    .3175 .125 .125 .838 .0228   .027   .021   .021      0      0   .008
OH   .3175 .125 .125 .162 .0228   .027   .021   .021      0      0   .008
F     .375 .375 .375  .62  .044   .044   .044   .044      0      0      0
OH    .375 .375 .375  .38  .044   .044   .044   .044      0      0      0
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Pyrochlore
Download hom/pyrochlore.pdf
Bonazzi P, Bindi L, Zoppi M, Capitani G C, Olmi F
Download am/vol91/AM91_794.pdf
American Mineralogist 91 (2006) 794-801
Single-crystal diffraction and transmission electron microscopy studies
of "silicified" pyrochlore from Narssarssk, Julianehaab district, Greenland
Locality: Narssarssk, Julianehaab district, Greenland
Sample: 170a
_database_code_amcsd 0004145
10.3738 10.3738 10.3738 90 90 90 *Fd-3m
.125 .125 .125
atom     x    y    z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na      .5   .5   .5 .090  .026   .026   .026   .026  .0053  .0053  .0053
K       .5   .5   .5 .025  .026   .026   .026   .026  .0053  .0053  .0053
Ca      .5   .5   .5 .360  .026   .026   .026   .026  .0053  .0053  .0053
Sr      .5   .5   .5 .040  .026   .026   .026   .026  .0053  .0053  .0053
Mn      .5   .5   .5 .020  .026   .026   .026   .026  .0053  .0053  .0053
Pb      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
La      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
Ce      .5   .5   .5 .020  .026   .026   .026   .026  .0053  .0053  .0053
Nd      .5   .5   .5 .005  .026   .026   .026   .026  .0053  .0053  .0053
U       .5   .5   .5 .010  .026   .026   .026   .026  .0053  .0053  .0053
Nb       0    0    0 .740 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Ta       0    0    0 .020 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Ti       0    0    0 .080 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Si       0    0    0 .120 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
Fe       0    0    0 .040 .0225  .0225  .0225  .0225 -.0017 -.0017 -.0017
O    .3173 .125 .125 .772  .028   .029   .028   .028      0      0   .011
OH   .3173 .125 .125 .228  .028   .029   .028   .028      0      0   .011
F     .375 .375 .375 .460  .031   .031   .026   .026      0      0      0
OH    .375 .375 .375 .540  .031   .031   .031   .031      0      0      0
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, in air
_database_code_amcsd 0004146
9.6912 8.8986 5.2531 90 105.990 90 C2/c
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca2       0 .30245    .25 .88 .896 .00315 .00222 .00716       0 -.00010       0
K2        0 .30245    .25 .12 .896 .00315 .00222 .00716       0 -.00010       0
Mg1       0 .90703    .25 .83  .51 .00143 .00169 .00454       0  .00042       0
Al1       0 .90703    .25 .17  .51 .00143 .00169 .00454       0  .00042       0
Si   .28620 .09297 .22578 .99 .427 .00115 .00151 .00400  .00002  .00061 -.00017
Al   .28620 .09297 .22578 .01 .427 .00115 .00151 .00400  .00002  .00061 -.00017
O1   .11410 .08445 .13811      .83 .00128 .00394 .00797  .00025  .00105 -.00028
O2   .35996 .25132 .31167      .94 .00364 .00202 .00935 -.00071  .00189 -.00077
O3   .35013 .01660 .99295      .69 .00166 .00281 .00628 -.00006  .00109 -.00104
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, in diamond cell, P = 0 GPa
_database_code_amcsd 0004147
9.6912 8.8986 5.2531 90 105.990 90 C2/c
atom      x      y     z occ Biso
Ca2       0 .30244   .25 .88  .87
K2        0 .30244   .25 .12  .87
Mg1       0  .9070   .25 .83  .52
Al1       0  .9070   .25 .17  .52
Si   .28611 .09289 .2257 .99  .43
Al   .28611 .09289 .2257 .01  .43
O1    .1140  .0844 .1382      .91
O2    .3596  .2514 .3113      .94
O3    .3501  .0165 .9926      .67
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, P = .46 GPa
_database_code_amcsd 0004148
9.6828 8.8880 5.2482 90 105.951 90 C2/c
atom     x     y     z occ Biso
Ca2      0 .3025   .25 .88 1.05
K2       0 .3025   .25 .12 1.05
Mg1      0 .9070   .25 .83  .66
Al1      0 .9070   .25 .17  .66
Si   .2861 .0931 .2254 .99  .60
Al   .2861 .0931 .2254 .01  .60
O1   .1146 .0845 .1375     1.02
O2   .3607 .2523 .3124     1.08
O3   .3500 .0167 .9932      .91
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, P = 2.45 GPa
_database_code_amcsd 0004149
9.6313 8.8327 5.2212 90 105.746 90 C2/c
atom     x     y     z occ Biso
Ca2      0 .3036   .25 .88 1.00
K2       0 .3036   .25 .12 1.00
Mg1      0 .9077   .25 .83  .62
Al1      0 .9077   .25 .17  .62
Si   .2858 .0935 .2248 .99  .59
Al   .2858 .0935 .2248 .01  .59
O1   .1142 .0849 .1386     1.03
O2   .3599 .2533 .3131     1.05
O3   .3509 .0178 .9910      .83
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, P = 5.36 GPa
_database_code_amcsd 0004150
9.5674 8.7596 5.1863 90 105.520 90 C2/c
atom     x     y     z occ Biso
Ca2      0 .3044   .25 .88 1.29
K2       0 .3044   .25 .12 1.29
Mg1      0 .9087   .25 .83  .98
Al1      0 .9087   .25 .17  .98
Si   .2860 .0941 .2249 .99  .96
Al   .2860 .0941 .2249 .01  .96
O1   .1119 .0846 .1370     1.40
O2   .3582 .2549 .3144     1.36
O3   .3520 .0190 .9880     1.12
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, P = 8.11 GPa
_database_code_amcsd 0004151
9.5089 8.6937 5.1545 90 105.344 90 C2/c
atom     x     y     z occ Biso
Ca2      0 .3053   .25 .88  .85
K2       0 .3053   .25 .12  .85
Mg1      0 .9091   .25 .83  .63
Al1      0 .9091   .25 .17  .63
Si   .2863 .0947 .2247 .99  .54
Al   .2863 .0947 .2247 .01  .54
O1   .1136 .0853 .1385      .95
O2   .3594 .2566 .3155      .98
O3   .3529 .0207 .9873      .81
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Diopside
Download hom/diopside.pdf
Bindi L, Downs R T, Harlow G E, Safonov O G, Litvin Y A, Perchuk L L, Uchida H, Menchetti S
Download am/vol91/AM91_802.pdf
American Mineralogist 91 (2006) 802-808
Compressibility of synthetic potassium-rich clinopyroxene:
In situ high-pressure single-crystal X-ray study
Sample: 939-1, P = 9.72 GPa
_database_code_amcsd 0004152
9.4762 8.6541 5.1356 90 105.269 90 C2/c
atom     x     y     z occ Biso
Ca2      0 .3058   .25 .88  .79
K2       0 .3058   .25 .12  .79
Mg1      0 .9098   .25 .83  .55
Al1      0 .9098   .25 .17  .55
Si   .2862 .0948 .2247 .99  .53
Al   .2862 .0948 .2247 .01  .53
O1   .1124 .0852 .1385      .86
O2   .3588 .2577 .3170      .93
O3   .3541 .0211 .9872      .72
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: B2-0
_database_code_amcsd 0004217
9.958 9.311 8.867 90 102.57 90 C2/c
atom       x       y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  -.00187 -.20545 .05489 .0292  .0348  .0339  .0188  .0054  .0060  .0067
As2  -.16022 -.40157 .12611 .0286  .0236  .0317  .0264  .0005 -.0036 -.0065
S1         0  -.0540    .25 .0340  .0443  .0226  .0346      0  .0076      0
S2         0  -.5536    .25 .0363  .0361  .0219  .0450      0 -.0043      0
S3    -.2012  -.3040  .3403 .0350  .0262  .0493  .0318 -.0044  .0117 -.0064
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: B2-600, light exposure for t = 600 minutes
Note: bonazziite - alacranite series
_database_code_amcsd 0004218
9.881 9.397 8.930 90 101.64 90 C2/c
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1    .002 -.2084 .0570 .83 .0459  .0498   .055  .0320  .0086  .0063  .0094
As1b   .043  -.166  .095 .17  .112    .09   .043    .20   .027    .05   .059
As2  -.1606 -.4022 .1282 .83 .0488  .0362  .0499  .0550  .0038 -.0034 -.0137
As2b  -.120  -.459  .169 .17  .085   .068    .11   .082  -.033   .035  -.063
S1        0 -.0590   .25      .062   .070   .042   .073      0   .011      0
S2        0 -.5525   .25 .83  .065   .054   .034   .098      0  -.005      0
S3   -.2034 -.3065 .3385     .0622   .042   .083   .066  -.008   .023  -.011
S4    -.095  -.320 -.006 .17  .076    .09    .09   .044    .05   .024   .017
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: B2-840, light exposure for t = 840 minutes
Note: bonazziite - alacranite series
_database_code_amcsd 0004219
9.831 9.444 8.986 90 101.36 90 C2/c
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1   .0006 -.2097 .0576 .78 .0607   .061   .076   .044   .012  .0089   .013
As1b   .046  -.166  .093 .22  .121   .093   .053    .21   .019   .027   .043
As2  -.1606 -.4052 .1318 .78 .0635   .043   .065   .077  .0068 -.0016  -.020
As2b  -.114  -.466  .176 .22  .074   .054   .101   .072  -.009   .023  -.045
S1        0 -.0621   .25      .077   .083   .053   .094      0   .017      0
S2        0 -.5519   .25 .78  .084   .061   .047   .137      0  -.001      0
S3   -.2045 -.3094 .3377      .079   .050   .110   .084  -.004   .027  -.013
S4    -.102  -.325 -.004 .22  .075    .09    .09   .041    .05   .004   .002
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: ALA16-0
Note: bonazziite - alacranite series
_database_code_amcsd 0004220
9.963 9.323 8.962 90 102.41 90 C2/c
atom      x      y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  -.0041 -.2081 .0561 .869 .0439  .0430  .0534  .0353  .0086  .0082  .0075
As1b   .055  -.170  .074 .131  .081   .068   .071   .101   .023   .014   .013
As2  -.1608 -.4033 .1285 .869 .0425  .0302  .0472  .0457  .0021 -.0019 -.0080
As2b  -.127  -.468  .176 .131  .064   .076   .053   .067  -.013   .022  -.006
S1        0 -.0561   .25      .0522   .054   .044   .058      0   .008      0
S2        0 -.5549   .25 .869  .053   .044   .033   .074      0  -.005      0
S3   -.2012 -.3080 .3407      .0562   .037   .078   .059  -.005   .021  -.007
S4    -.101  -.323 -.007 .131  .062    .06    .06    .07   .001   .024    .01
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: ALA16-1800, light exposure for t = 1800 minutes
Note: bonazziite - alacranite series
_database_code_amcsd 0004221
9.862 9.438 9.078 90 101.25 90 C2/c
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  -.0031 -.2134 .0591 .69  .069   .071   .083   .052   .012   .008   .013
As1b   .056  -.169  .075 .31  .104   .092   .059    .16   .002   .036   .012
As2  -.1618 -.4080 .1359 .69  .077   .059   .075   .090   .008  -.004  -.021
As2b  -.119  -.465  .177 .31  .078   .076   .095   .068  -.014   .022  -.029
S1        0 -.0621   .25      .089   .106   .062   .097      0   .016      0
S2        0  -.558   .25 .69  .107   .080   .047    .18      0  -.017      0
S3   -.2032 -.3152 .3379      .094   .065   .130   .093  -.009   .032  -.004
S4    -.101  -.321 -.007 .31  .084    .11    .10   .040    .03  -.003  -.006
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Bonazziite
 
Bonazzi P, Bindi L, Pratesi G, Menchetti S
Download am/vol91/AM91_1323.pdf
American Mineralogist 91 (2006) 1323-1330
Light-induced changes in molecular arsenic sulfides: State of the art and
new evidence by single-crystal X-ray diffraction
Sample: ALA15-600, light exposure for t = 600 minutes
Note: bonazziite - alacranite series
_database_code_amcsd 0004222
9.885 9.446 9.118 90 101.32 90 C2/c
atom      x      y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  -.0065  -.217 .0577 .62  .071   .077   .082   .051   .004   .006   .009
As1b   .049  -.172  .074 .38  .090    .10   .055   .110   .019   .015   .010
As2  -.1633 -.4085  .136 .62  .076   .054   .069   .096   .008  -.006  -.021
As2b  -.121  -.463  .176 .38  .080   .080   .094   .072  -.018   .032  -.035
S1        0 -.0629   .25      .089   .101   .060   .109      0   .027      0
S2        0  -.560   .25 .62  .107   .056   .052    .19      0   -.03      0
S3   -.2032 -.3167 .3381      .089   .065   .116   .093  -.015   .032  -.005
S4    -.104  -.324 -.008 .38  .087    .12    .07    .06    .03   -.01  -.004
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As4S5
 
Bindi L, Bonazzi P
Download am/vol92/AM92_617.pdf
American Mineralogist 92 (2007) 617-620
Light-induced alteration of arsenic sulfides: A new product having an
orthorhombic crystal structure
_database_code_amcsd 0004312
19.352 10.166 8.697 90 90 90 Pccn
atom     x     y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .0684 .8619  .103     .114   .099   .092   .151  -.018   .026  -.027
As2  .0360 .0283  .303     .111   .107   .116   .112  -.023   .038  -.021
As3  .1995 .9092 .3448     .103   .104   .083   .123   .030   .018   .026
As4  .1584 .1606 .0434     .074   .061   .074   .086  -.007  -.002   .013
S1   .0716  .214  .202     .092   .065    .09    .12   .019    .01   -.01
S2   .1066  .510  .430     .103   .071    .11    .13   -.01   -.02    .03
S3   .2370  .071  .197     .073   .035    .09    .09  -.009   .002    .01
S4    .111  .984  .468     .132    .14    .10    .16   -.02    .06   -.02
S5    .154  .775  .188 .93 .140    .17    .11    .15    .01   -.03   -.02
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Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 100 K
_database_code_amcsd 0004356
10.3702 8.0647 6.6400 90 92.676 90 P2_1/n
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ag1  .31040 .23340  .57288 .01516 .01272 .02214 .01073 -.00658  .00194 -.00165
Ag2  .49642 .96855  .76015 .02510  .0464 .01153 .01732 -.01374  .00128 -.00302
Mn        0      0      .5 .00674  .0066  .0071  .0064   .0002  -.0003   .0004
Sb   .18530 .16043  .03909 .00684 .00748 .00654 .00644  .00079 -.00021  .00031
S1   .09442 .26837  .34485  .0078  .0096  .0067  .0069  -.0001   .0001   .0002
S2   .51780 .67229  .66814  .0078  .0081  .0087  .0065   .0007  -.0004   .0006
S3   .26500 .41764 -.11521  .0080  .0080  .0070  .0090  -.0015  -.0001   .0005
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Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 300 K
_database_code_amcsd 0004357
10.3861 8.1108 6.6630 90 92.639 90 P2_1/n
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1   .30710 .24815  .57129 .04309 .03112  .0704 .02837 -.01957 .00785 -.00721
Ag2   .49587 .97000  .76079 .06270  .1105  .0302  .0476  -.0348  .0056 -.01010
Mn         0      0      .5 .01673  .0168  .0178  .0157   .0005 .00148  .00025
Sb   .184035 .16448  .03847 .01579 .01591 .01611 .01541  .00237 .00141  .00059
S1    .09171 .26901  .34369 .01627  .0197  .0146  .0147   .0009  .0023   .0010
S2    .51791 .67354  .66932 .01590  .0154  .0184  .0139   .0008 .00080   .0018
S3    .26400 .42128 -.11123 .01807  .0157  .0167  .0219  -.0029  .0008   .0019
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Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 300 K, refined using Gram-Charlier displacement factors
_database_code_amcsd 0004358
10.3861 8.1108 6.6630 90 92.639 90 P2_1/n
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1    .3080  .2438   .5723 .04309 .03112  .0704 .02837 -.01957 .00785 -.00721
Ag2    .5014  .9660   .7626 .06270  .1105  .0302  .0476  -.0348  .0056 -.01010
Mn         0      0      .5 .01673  .0168  .0178  .0157   .0005 .00148  .00025
Sb   .184035 .16448  .03847 .01579 .01591 .01611 .01541  .00237 .00141  .00059
S1    .09171 .26901  .34369 .01627  .0197  .0146  .0147   .0009  .0023   .0010
S2    .51791 .67354  .66932 .01590  .0154  .0184  .0139   .0008 .00080   .0018
S3    .26400 .42128 -.11123 .01807  .0157  .0167  .0219  -.0029  .0008   .0019
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Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 400 K
_database_code_amcsd 0004359
10.3838 8.1364 6.6737 90 92.640 90 P2_1/n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1  .30561  .2533 .57050  .0597  .0425  .0982  .0392 -.0263  .0101 -.0106
Ag2   .4960 .97038  .7609  .0822  .1404  .0414  .0647 -.0455  .0051 -.0142
Mn        0      0     .5  .0220  .0208  .0239  .0214  .0000  .0006  .0002
Sb   .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066
S1   .09021 .26934 .34277  .0222  .0264  .0211  .0192  .0012  .0026  .0021
S2   .51847 .67407 .67019  .0214  .0209  .0241  .0190  .0013  .0005  .0025
S3   .26330 .42261 -.1099  .0241  .0209  .0225  .0288 -.0040 -.0004  .0019
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Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 400 K, refined using Gram-Charlier displacement factors
_database_code_amcsd 0004360
10.3838 8.1364 6.6737 90 92.640 90 P2_1/n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1   .3055  .2507  .5723  .0597  .0425  .0982  .0392 -.0263  .0101 -.0106
Ag2   .5001  .9647  .7622  .0822  .1404  .0414  .0647 -.0455  .0051 -.0142
Mn        0      0     .5  .0220  .0208  .0239  .0214  .0000  .0006  .0002
Sb   .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066
S1   .09021 .26934 .34277  .0222  .0264  .0211  .0192  .0012  .0026  .0021
S2   .51847 .67407 .67019  .0214  .0209  .0241  .0190  .0013  .0005  .0025
S3   .26330 .42261 -.1099  .0241  .0209  .0225  .0288 -.0040 -.0004  .0019
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Ingersonite
Download hom/ingersonite.pdf
Bonazzi P, Bindi L
Download am/vol92/AM92_947.pdf
American Mineralogist 92 (2007) 947-953
The crystal structure of ingersonite, Ca3Mn2+Sb5+4O14, and its relationships with
pyrochlore
Locality: Langban mine, Varmland, Sweden
_database_code_amcsd 0004361
7.282 7.282 17.604 90 90 120 P3_121
atom      x     y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3)  U(2,3)
CaA1      0 .8444    2/3       .0080  .0064  .0091  .0076  .0032  -.0013  -.0006
MnA2  .8355     0    5/6       .0173  .0236  .0260  .0029  .0130   .0024   .0048
CaA3  .4989 .3518 .66075       .0090  .0105  .0079  .0093  .0051  -.0009   .0022
SbB1 .31881     0    1/3      .00320  .0044  .0037  .0012 .00186 -.00007 -.00015
SbB2 .32968     0    5/6 .983 .00347  .0042  .0037  .0023 .00185 -.00012  -.0002
MgB2 .32968     0    5/6 .017 .00347  .0042  .0037  .0023 .00185 -.00012  -.0002
SbB3 .33428 .5019 .83499      .00299 .00389 .00344 .00215 .00221 -.00014 -.00003
O1    .1989 .2199  .1471       .0096  .0060  .0120  .0112  .0052  -.0002  -.0013
O2    .5543 .6091  .2034       .0107  .0176  .0081  .0086  .0080  -.0050  -.0017
O3    .1975 .6399  .1489       .0092  .0050  .0079  .0106  .0001  -.0010   .0003
O4   -.0399 .3091  .0573       .0082  .0096  .0093  .0058  .0049  -.0006  -.0007
O5   -.0541 .8050  .0566       .0071  .0051  .0099  .0053  .0029  -.0021  -.0010
O6    .5437 .4046  .0560       .0073  .0085  .0081  .0032  .0026   .0015   .0015
O7    .5347 .7988  .0599       .0073  .0137  .0084  .0037  .0084   .0022   .0000
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Phlogopite
Download hom/phlogopite.pdf
Nazzareni S, Comodi P, Bindi L, Safonov O G, Litvin Y A, Perchuk L L
Download am/vol93/AM93_1429.pdf
American Mineralogist 93 (2008) 1429-1436
Synthetic hypersilicic Cl-bearing mica in the phlogopite-celadonite join:
a mulitmethodical characterization of the missing link between di- and tri-
octahedral micas at high pressures
Locality: synthetic
_database_code_amcsd 0004636
5.299 9.167 10.226 90 100.06 90 C2/m
atom     x     y     z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K        0     0     0      .0404  .0370  .0363  .0484      0  .0087      0
Si   .5762 .1670 .2287 .875 .0103  .0102  .0069  .0138 -.0001  .0018 -.0007
Al   .5762 .1670 .2287 .125 .0103  .0102  .0069  .0138 -.0001  .0018 -.0007
MgM1     0    .5    .5 .852 .0080   .008  .0055  .0103      0  .0019      0
MgM2     0 .8320    .5 .935 .0145  .0164  .0102  .0175      0  .0048      0
O1   .8119 .2435 .1678      .0188
O2   .5428     0 .1685      .0166
O3   .6301 .1674 .3893      .0105
O4   .1328     0 .4002 .804 .0137
Cl    .118     0 .3496 .196  .048
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K1 sample
_database_code_amcsd 0004804
8.971 5.766 10.224 90 114.53 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .75985    .75 .15222 .61930 .02178 .03375 .01573 .02174       0  .01737       0
CaA1 .75985    .75 .15222 .38070 .02178 .03375 .01573 .02174       0  .01737       0
CaA2 .59423    .75 .42645 .22580 .02141 .01791 .02704 .01675       0  .00468       0
CeA2 .59423    .75 .42645 .77420 .02141 .01791 .02704 .01675       0  .00468       0
FeM2      0      0     .5 .15852 .01538 .01492 .01219 .01748  .00065  .00519 -.00090
AlM2      0      0     .5 .84148 .01538 .01492 .01219 .01748  .00065  .00519 -.00090
AlM1      0      0      0 .23598 .01651 .01548 .01439 .01877 -.00084  .00624 -.00006
MnM1      0      0      0 .76402 .01651 .01548 .01439 .01877 -.00084  .00624 -.00006
MnM3 .31013    .25 .21314 .99986 .02142 .01974 .01817 .01810       0 -.00038       0
AlM3 .31013    .25 .21314 .00014 .02142 .01974 .01817 .01810       0 -.00038       0
Si1  .34385    .75 .03730        .01433 .01449 .01261 .01406       0  .00409       0
Si2  .69137    .25 .27868        .01585 .01681 .01415 .01621       0  .00649       0
Si3  .19087    .75 .32538        .01333 .01347 .01377 .01373       0  .00664       0
O1   .23974 .98871 .02674        .02247 .02123 .01641 .03057  .00177  .01155  .00211
O2   .31498 .97286 .36406        .01994 .02173 .01838 .02108 -.00371  .01025 -.00051
O3   .80163 .01596 .33303        .02261 .02025 .01498 .02364  .00068  .00017 -.00247
O4   .05807    .25 .13451        .02065 .01810 .01966 .02123       0  .00522       0
O5   .04948    .75 .15619        .01874 .01857 .02014 .01642       0  .00619       0
O6   .07589    .75 .41641        .01690 .01789 .01587 .01905       0  .00979       0
O7   .51235    .75 .17830        .02358 .02418 .02267 .01800       0  .00286       0
O8   .55043    .25 .33622        .03773 .02722 .06057 .03215       0  .01905       0
O9   .60860    .25 .10132        .02686 .02717 .03407 .01970       0  .01008       0
O10  .09171    .25 .43407        .01820 .01721 .01752 .02085       0  .00889       0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K2 sample
_database_code_amcsd 0004805
8.943 5.768 10.195 90 114.42 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .75964    .75 .15194 .61828 .02279 .03535 .01653 .02311       0 .01873       0
CaA1 .75964    .75 .15194 .38172 .02279 .03535 .01653 .02311       0 .01873       0
CeA2 .59410    .75 .42632 .73530 .02174 .01926 .02626 .01878       0 .00693       0
CaA2 .59410    .75 .42632 .26470 .02174 .01926 .02626 .01878       0 .00693       0
FeM2      0      0     .5 .15348 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003
AlM2      0      0     .5 .84652 .01694 .01740 .01435 .01895 -.00084 .00738 -.00003
AlM1      0      0      0 .28730 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113
MnM1      0      0      0 .71270 .01747 .01719 .01483 .02109 -.00104 .00862 -.00113
MnM3 .30962    .25 .21349 .99544 .02213 .02152 .01798 .02097       0 .00285       0
AlM3 .30962    .25 .21349 .00456 .02213 .02152 .01798 .02097       0 .00285       0
Si1  .34438    .75 .03787        .01588 .01620 .01434 .01653       0 .00619       0
Si2  .69149    .25 .27847        .01715 .01893 .01420 .02004       0 .00978       0
Si3  .19044    .75 .32513        .01454 .01570 .01428 .01617       0 .00915       0
O1   .24009 .98935 .02760        .02371 .02372 .01472 .03463  .00122 .01402  .00279
O2   .31387 .97345 .36316        .02285 .02463 .02241 .02361 -.00294 .01208 -.00374
O3   .80123 .01557 .33193        .02298 .02137 .01703 .02395 -.00076 .00275  .00125
O4   .05825    .25 .13506        .02337 .02324 .01968 .02693       0 .01011       0
O5   .04918    .75 .15562        .02065 .02231 .01960 .02073       0 .00958       0
O6   .07584    .75 .41702        .01953 .02127 .01643 .02585       0 .01471       0
O7   .51255    .75 .17764        .02563 .02623 .02526 .02168       0 .00618       0
O8   .54890    .25 .33404        .03959 .03725 .05858 .03453       0 .02647       0
O9   .60920    .25 .10193        .02846 .03176 .03639 .01869       0 .01189       0
O10  .09094    .25 .43312        .02007 .02124 .01686 .02476       0 .01218       0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K4 sample
_database_code_amcsd 0004806
8.958 5.764 10.205 90 114.50 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .75942    .75 .15215 .64898 .02151 .03263 .01567 .02246       0  .01764       0
CaA1 .75942    .75 .15215 .35102 .02151 .03263 .01567 .02246       0  .01764       0
CaA2 .59417    .75 .42654 .25308 .02112 .01789 .02661 .01683       0  .00518       0
CeA2 .59417    .75 .42654 .74692 .02112 .01789 .02661 .01683       0  .00518       0
FeM2      0      0     .5 .14258 .01527 .01557 .01235 .01750  .00063  .00647 -.00029
AlM2      0      0     .5 .85742 .01527 .01557 .01235 .01750  .00063  .00647 -.00029
AlM1      0      0      0 .25804 .01644 .01610 .01419 .01865 -.00082  .00683 -.00064
MnM1      0      0      0 .74196 .01644 .01610 .01419 .01865 -.00082  .00683 -.00064
MnM3 .30992    .25 .21352 .99958 .02137 .01980 .01796 .01912       0  .00087       0
AlM3 .30992    .25 .21352 .00042 .02137 .01980 .01796 .01912       0  .00087       0
Si1  .34409    .75 .03730        .01507 .01498 .01327 .01596       0  .00541       0
Si2  .69156    .25 .27856        .01566 .01646 .01419 .01682       0  .00739       0
Si3  .19083    .75 .32537        .01384 .01386 .01404 .01481       0  .00713       0
O1   .23978 .98962 .02730        .02324 .02328 .01578 .03195  .00365  .01273  .00219
O2   .31488 .97360 .36311        .02000 .02182 .02008 .01980 -.00439  .01032 -.00082
O3   .80196 .01497 .33236        .02250 .02127 .01406 .02471  .00155  .00209 -.00175
O4   .05865    .25 .13505        .02007 .01836 .01778 .02277       0  .00722       0
O5   .04912    .75 .15548        .01787 .01764 .01840 .01688       0  .00647       0
O6   .07660    .75 .41758        .01781 .01716 .01769 .02359       0  .01345       0
O7   .51251    .75 .17833        .02343 .01831 .02649 .01759       0 -.00045       0
O8   .54933    .25 .33542        .03581 .02661 .05602 .03255       0  .01999       0
O9   .60853    .25 .10177        .02744 .02932 .03348 .01993       0  .01062       0
O10  .09191    .25 .43368        .01871 .01902 .01676 .02242       0  .01066       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5 sample
_database_code_amcsd 0004807
8.953 5.763 10.186 90 114.42 90 P2_1/m
atom      x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnA1  .7602   .75 .15245 .52  .0192  .0280  .0130  .0210  .0000  .0147  .0000
CaA1  .7602   .75 .15245 .48  .0192  .0280  .0130  .0210  .0000  .0147  .0000
CeA2 .59396   .75 .42667 .78 .01797  .0141  .0212  .0162  .0000 .00381  .0000
CaA2 .59396   .75 .42667 .22 .01797  .0141  .0212  .0162  .0000 .00381  .0000
FeM2      0     0     .5 .14  .0130  .0109  .0099  .0169 -.0003  .0045 -.0006
AlM2      0     0     .5 .86  .0130  .0109  .0099  .0169 -.0003  .0045 -.0006
MnM1      0     0      0 .78  .0142  .0119  .0116  .0174 -.0012  .0046 -.0007
AlM1      0     0      0 .22  .0142  .0119  .0116  .0174 -.0012  .0046 -.0007
MnM3 .30948   .25 .21307      .0179  .0149  .0144  .0173  .0000 -.0003  .0000
Si1   .3443   .75  .0374      .0128  .0124  .0101  .0138  .0000  .0032  .0000
Si2   .6914   .25  .2793      .0133  .0127  .0107  .0158  .0000  .0052  .0000
Si3   .1908   .75  .3254      .0117  .0106  .0108  .0137  .0000  .0051  .0000
O1    .2402 .9894  .0273      .0198  .0184  .0126   .028  .0021  .0095  .0018
O2    .3147 .9729  .3635      .0181  .0168   .018   .019 -.0034  .0063 -.0005
O3    .8017 .0150  .3332      .0200  .0182  .0112   .023  .0005  .0009 -.0018
O4    .0578   .25  .1353      .0175   .017   .013   .019  .0000   .004  .0000
O5    .0494   .75  .1565      .0170   .017   .016   .016  .0000   .004  .0000
O6    .0760   .75  .4169      .0156   .015   .014   .021  .0000   .011  .0000
O7    .5131   .75  .1781      .0201   .019   .020   .015  .0000   .001  .0000
O8    .5504   .25  .3376      .0316   .021   .050   .030  .0000   .017  .0000
O9    .6093   .25  .1027      .0241   .023   .030   .019  .0000   .009  .0000
O10   .0911   .25  .4331      .0158   .013   .015   .020  .0000   .008  .0000
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5-600 sample, annealing under inert temperature
_database_code_amcsd 0004808
8.950 5.770 10.194 90 114.42 90 P2_1/m
atom      x      y      z     occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76013    .75 .15246  .51174 .01750 .02570 .01315 .01732       0  .01257       0
CaA1 .76013    .75 .15246  .48826 .01750 .02570 .01315 .01732       0  .01257       0
CaA2 .59383    .75 .42672  .21280 .01697 .01258 .02232 .01297       0  .00223       0
CeA2 .59383    .75 .42672  .78720 .01697 .01258 .02232 .01297       0  .00223       0
FeM2      0      0     .5  .12330 .01165 .00998 .00989 .01313  .00059  .00281 -.00031
AlM2      0      0     .5  .87670 .01165 .00998 .00989 .01313  .00059  .00281 -.00031
AlM1      0      0      0  .20374 .01289 .01025 .01172 .01508 -.00092  .00359 -.00048
MnM1      0      0      0  .79626 .01289 .01025 .01172 .01508 -.00092  .00359 -.00048
MnM3 .30961    .25 .21299  .99978 .01657 .01310 .01473 .01413       0 -.00216       0
AlM3 .30961    .25 .21299  .00022 .01657 .01310 .01473 .01413       0 -.00216       0
Si1  .34418    .75 .03733         .01141 .01082 .00967 .01154       0  .00241       0
Si2  .69125    .25 .27925         .01245 .01141 .01182 .01287       0  .00378       0
Si3  .19079    .75 .32560         .01007 .00802 .01123 .01054       0  .00341       0
O1   .24023 .98931 .02737         .01797 .01596 .01217 .02538  .00205  .00812  .00100
O2   .31501 .97290 .36400         .01683 .01595 .01651 .01674 -.00344  .00546 -.00134
O3   .80141 .01511 .33329         .01860 .01524 .01296 .01870  .00159 -.00190 -.00184
O4   .05723    .25 .13479         .01682 .01406 .01540 .01768       0  .00323       0
O5   .04999    .75 .15629         .01523 .01389 .01598 .01329       0  .00308       0
O6   .07552    .75 .41641         .01431 .01462 .01417 .01624       0  .00850       0
O7   .51285    .75 .17851         .01818 .01587 .02006 .01351       0  .00095       0
O8   .55057    .25 .33633         .03114 .01994 .05416 .02410       0  .01388       0
O9   .60957    .25 .10203         .02190 .02155 .02743 .01672       0  .00790       0
O10  .09089    .25 .43331         .01369 .01185 .01378 .01421       0  .00417       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K5-700 sample, annealing ex situ under inert atmosphere
_database_code_amcsd 0004809
8.925 5.744 10.158 90 114.46 90 P2_1/m
atom      x     y      z occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnA1 .76071   .75 .15180 .52  .0116  .0177  .0094  .0107  .0000  .0088  .0000
CaA1 .76071   .75 .15180 .48  .0116  .0177  .0094  .0107  .0000  .0088  .0000
CeA2 .59496   .75 .42657 .78 .01164 .00907 .01519 .00884  .0000 .00190  .0000
CaA2 .59496   .75 .42657 .22 .01164 .00907 .01519 .00884  .0000 .00190  .0000
FeM2      0     0     .5 .14  .0083  .0069  .0070  .0094  .0001  .0019 -.0004
AlM2      0     0     .5 .86  .0083  .0069  .0070  .0094  .0001  .0019 -.0004
MnM1      0     0      0 .78  .0088  .0073  .0084  .0094 -.0006  .0023 -.0006
AlM1      0     0      0 .22  .0088  .0073  .0084  .0094 -.0006  .0023 -.0006
MnM3 .30626   .25 .21377     .00972  .0073  .0095  .0084  .0000 -.0007  .0000
Si1  .34464   .75 .03876      .0079  .0075  .0069  .0079  .0000  .0019  .0000
Si2  .68996   .25 .27864      .0078  .0065  .0082  .0085  .0000  .0028  .0000
Si3  .19090   .75 .32504      .0067  .0054  .0074  .0070  .0000  .0024  .0000
O1    .2409 .9898  .0292      .0129  .0113  .0089  .0186  .0022  .0064  .0009
O2    .3148 .9733  .3634      .0110  .0098  .0114  .0114 -.0026  .0039 -.0010
O3    .8004 .0149  .3334      .0128  .0103  .0076  .0150  .0003 -.0002 -.0013
O4    .0562   .25  .1339      .0108  .0099  .0103  .0107  .0000  .0027  .0000
O5    .0497   .75  .1561      .0102  .0090  .0105  .0091  .0000  .0018  .0000
O6    .0757   .75  .4166      .0106  .0109  .0104  .0134  .0000  .0078  .0000
O7    .5143   .75  .1786      .0134  .0110  .0160  .0087  .0000 -.0004  .0000
O8    .5486   .25  .3359      .0220  .0134   .038   .020  .0000  .0117  .0000
O9    .6098   .25  .1016      .0174  .0174   .027  .0093  .0000  .0064  .0000
O10   .0913   .25  .4329      .0103  .0088  .0102  .0126  .0000  .0051  .0000
H      .018   .25   .293        .02
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-550 sample
_database_code_amcsd 0004810
8.922 5.717 10.272 90 115.24 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .76091    .75 .15059 .60784 .01799 .02476 .01529 .01917       0 .01440       0
CaA1 .76091    .75 .15059 .39216 .01799 .02476 .01529 .01917       0 .01440       0
CaA2 .60563    .75 .42478 .75888 .01958 .01803 .02297 .01534       0 .00482       0
CeA2 .60563    .75 .42478 .24112 .01958 .01803 .02297 .01534       0 .00482       0
FeM2      0      0     .5 .17158 .01404 .01202 .01359 .01549  .00146 .00490 -.00002
AlM2      0      0     .5 .82842 .01404 .01202 .01359 .01549  .00146 .00490 -.00002
AlM1      0      0      0 .23436 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076
MnM1      0      0      0 .76564 .01391 .01131 .01257 .01596 -.00071 .00399 -.00076
MnM3 .30231    .25 .21924 .94994 .01550 .01223 .01446 .01580       0 .00213       0
AlM3 .30231    .25 .21924 .05006 .01550 .01223 .01446 .01580       0 .00213       0
Si1  .34448    .75 .04184        .01294 .01125 .01239 .01389       0 .00411       0
Si2  .68920    .25 .27311        .01430 .01284 .01393 .01657       0 .00670       0
Si3  .19022    .75 .32387        .01189 .01024 .01331 .01274       0 .00551       0
O1   .24108 .99191 .03464        .02165 .01794 .01689 .03147  .00262 .01185  .00421
O2   .31473 .97641 .36076        .01791 .01595 .01884 .01962 -.00435 .00823 -.00280
O3   .79912 .01442 .33091        .02096 .01767 .01450 .02302  .00121 .00130 -.00254
O4   .05879    .25 .13129        .01627 .01522 .01629 .01799       0 .00775       0
O5   .04674    .75 .15496        .01726 .01407 .01888 .01578       0 .00344       0
O6   .07946    .75 .41656        .01747 .01869 .01572 .02339       0 .01415       0
O7   .51719    .75 .17907        .02104 .01776 .02082 .01734       0 .00057       0
O8   .54088    .25 .32279        .03243 .02443 .04595 .03557       0 .02111       0
O9   .61215    .25 .09779        .02949 .03210 .04125 .01743       0 .01278       0
O10  .09220    .25 .43941        .01665 .01511 .01548 .02277       0 .01134       0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-600 sample
_database_code_amcsd 0004811
8.908 5.711 10.314 90 115.38 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76168    .75 .15039 .54656 .01684 .02236 .01385 .01801       0  .01216       0
CaA1 .76168    .75 .15039 .45344 .01684 .02236 .01385 .01801       0  .01216       0
CaA2 .60820    .75 .42438 .76712 .01802 .01606 .02067 .01387       0  .00314       0
CeA2 .60820    .75 .42438 .23288 .01802 .01606 .02067 .01387       0  .00314       0
FeM2      0      0     .5 .18596 .01319 .01057 .01278 .01469  .00179  .00395 -.00105
AlM2      0      0     .5 .81404 .01319 .01057 .01278 .01469  .00179  .00395 -.00105
AlM1      0      0      0 .24310 .01213 .00987 .00967 .01381 -.00066  .00219 -.00037
MnM1      0      0      0 .75690 .01213 .00987 .00967 .01381 -.00066  .00219 -.00037
MnM3 .30147    .25 .22049 .93882 .01325 .01003 .01042 .01424       0  .00037       0
AlM3 .30147    .25 .22049 .06118 .01325 .01003 .01042 .01424       0  .00037       0
Si1  .34442    .75 .04252        .01155 .00955 .00885 .01373       0  .00257       0
Si2  .68914    .25 .27190        .01318 .01030 .01221 .01611       0  .00480       0
Si3  .19046    .75 .32413        .01075 .00823 .01016 .01281       0  .00351       0
O1   .24088 .99254 .03566        .02022 .01709 .01281 .02997  .00002  .00933  .00243
O2   .31508 .97693 .36053        .01702 .01368 .02035 .01832 -.00286  .00810 -.00023
O3   .79955 .01496 .33049        .02017 .01659 .01085 .02579 -.00056  .00217 -.00122
O4   .05838    .25 .13034        .01493 .01261 .01082 .01785       0  .00319       0
O5   .04673    .75 .15481        .01682 .01324 .01677 .01639       0  .00247       0
O6   .08076    .75 .41720        .01652 .01433 .01329 .02419       0  .01040       0
O7   .51862    .75 .17982        .01973 .01525 .01714 .01678       0 -.00268       0
O8   .53927    .25 .31983        .02807 .02053 .03859 .03382       0  .01996       0
O9   .61385    .25 .09667        .02805 .03261 .03486 .01896       0  .01323       0
O10  .09308    .25 .44164        .01654 .01386 .01494 .02306       0  .01005       0
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-700 sample
_database_code_amcsd 0004812
8.891 5.696 10.350 90 115.35 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
MnA1 .76241    .75 .14949 .38286 .01501 .02083 .01204 .01720       0 .01295       0
CaA1 .76241    .75 .14949 .61714 .01501 .02083 .01204 .01720       0 .01295       0
CaA2 .61123    .75 .42393 .81246 .01602 .01414 .01892 .01393       0 .00500       0
CeA2 .61123    .75 .42393 .18754 .01602 .01414 .01892 .01393       0 .00500       0
FeM2      0      0     .5 .26452 .01116 .00963 .00988 .01363  .00093 .00467 -.00062
AlM2      0      0     .5 .73548 .01116 .00963 .00988 .01363  .00093 .00467 -.00062
AlM1      0      0      0 .29030 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028
MnM1      0      0      0 .70970 .01091 .00921 .00798 .01459 -.00045 .00419 -.00028
MnM3 .29969    .25 .22165 .96690 .01121 .00806 .00987 .01346       0 .00248       0
AlM3 .29969    .25 .22165 .03310 .01121 .00806 .00987 .01346       0 .00248       0
Si1  .34436    .75 .04362        .00989 .00849 .00772 .01331       0 .00452       0
Si2  .68799    .25 .26941        .01120 .01092 .00977 .01458       0 .00707       0
Si3  .19050    .75 .32273        .00929 .00700 .00956 .01183       0 .00452       0
O1   .24130 .99217 .03694        .01709 .01379 .01135 .02736  .00272 .01001  .00252
O2   .31596 .97788 .35936        .01427 .01254 .01357 .01765 -.00219 .00737 -.00104
O3   .79755 .01402 .32870        .01662 .01293 .00973 .02212  .00036 .00267 -.00191
O4   .05937    .25 .12938        .01278 .01069 .01268 .01392       0 .00428       0
O5   .04624    .75 .15382        .01490 .01218 .01432 .01671       0 .00476       0
O6   .08270    .75 .41711        .01511 .01515 .01362 .02054       0 .01144       0
O7   .51840    .75 .17949        .01750 .01358 .01592 .01938       0 .00360       0
O8   .53741    .25 .31613        .02348 .01401 .03660 .02394       0 .01205       0
O9   .61431    .25 .09533        .02539 .02793 .03407 .01891       0 .01456       0
O10  .09308    .25 .44296        .01408 .01235 .01173 .02131       0 .01021       0
Download AMC data (View Text File)
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Allanite-subgroup mineral
 
Bonazzi P, Holtstam D, Bindi L, Nysten P, Capitani G
Download am/vol94/AM94_121.pdf
American Mineralogist 94 (2009) 121-134
Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral
from Kesebol, Vastra Gotaland, Sweden
Locality: Kesebol, Vastra Gotaland, Sweden
Note: K3-800 sample
_database_code_amcsd 0004813
8.894 5.699 10.368 90 115.69 90 P2_1/m
atom      x      y      z    occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
MnA1 .76259    .75 .14896 .27782 .01743 .02217 .01234 .02136       0  .01278       0
CaA1 .76259    .75 .14896 .72218 .01743 .02217 .01234 .02136       0  .01278       0
CaA2 .61278    .75 .42323 .16578 .01726 .01370 .01859 .01754       0  .00493       0
CeA2 .61278    .75 .42323 .83422 .01726 .01370 .01859 .01754       0  .00493       0
FeM2      0      0     .5 .39126 .01304 .00990 .00929 .01812  .00093  .00436 -.00038
AlM2      0      0     .5 .60874 .01304 .00990 .00929 .01812  .00093  .00436 -.00038
AlM1      0      0      0 .41324 .01287 .00964 .00823 .01805 -.00052  .00346 -.00046
MnM1      0      0      0 .58676 .01287 .00964 .00823 .01805 -.00052  .00346 -.00046
MnM3 .29836    .25 .22279 .95758 .01323 .00826 .01041 .01765       0  .00242       0
AlM3 .29836    .25 .22279 .04242 .01323 .00826 .01041 .01765       0  .00242       0
Si1  .34353    .75 .04344        .01261 .00960 .00815 .01871       0  .00484       0
Si2  .68634    .25 .26726        .01282 .01075 .00917 .01911       0  .00699       0
Si3  .19068    .75 .32126        .01133 .00844 .00958 .01555       0  .00478       0
O1   .23949 .99094 .03621        .01791 .01511 .01077 .02700  .00189  .00831  .00231
O2   .31679 .97772 .35845        .01591 .01340 .01467 .01871 -.00245  .00605 -.00175
O3   .79559 .01456 .32685        .01925 .01498 .00952 .02649  .00016  .00262 -.00202
O4   .06014    .25 .12823        .01428 .01118 .01275 .01518       0  .00218       0
O5   .04631    .75 .15269        .01720 .01184 .01539 .02187       0  .00492       0
O6   .08397    .75 .41715        .01806 .01657 .01690 .02333       0  .01108       0
O7   .51703    .75 .17904        .01898 .01260 .01670 .01924       0 -.00101       0
O8   .53568    .25 .31213        .02543 .01800 .03508 .02504       0  .01104       0
O9   .61327    .25 .09283        .02810 .03050 .03306 .02305       0  .01375       0
O10  .09490    .25 .44449        .01617 .01346 .01171 .02260       0  .00709       0
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Polybasite
Download hom/polybasite.pdf
Bindi L, Menchetti S
Download am/vol94/AM94_151.pdf
American Mineralogist 94 (2009) 151-155
Adding further complexity to the polybasite structure: The role of Ag in the
B layer of the -M2a2b2c polytype
Locality: Gowganda, Timiskaming District, Ontario, Canada
_database_code_amcsd 0004814
26.2625 15.1623 24.1061 90 90.045 90 C2/c
atom      x       y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1  .03327  .14640 .05460      .0383  .0327  .0311  .0511 -.0065 -.0123  .0081
Ag2  .04445  .36054 .06736      .0550  .0274  .0634  .0743 -.0031 -.0097  .0071
Ag3  .04223  .63232 .06985      .0645  .0484  .0687   .076 -.0276 -.0101  .0311
Ag4  .03034  .86010 .05625      .0554  .0513  .0525  .0624  .0041 -.0018 -.0060
Ag5  .16433  .00350 .07374      .0525  .0753  .0280  .0542 -.0011  .0293 -.0023
Ag6  .18503  .50161 .05040      .0384  .0372  .0391  .0390 -.0040  .0112  .0030
Ag7  .28760  .10213 .05265      .0489  .0515  .0478  .0475 -.0004  .0029 -.0067
Ag8  .28421  .37824 .06417      .0405  .0362  .0360  .0494 -.0077  .0002  .0014
Ag9  .28850  .62833 .06437      .0640  .0640  .0559   .072  .0245 -.0021 -.0133
Ag10 .28749  .89934 .05738      .0343  .0236  .0278  .0513 -.0063 -.0092  .0101
Ag11 .43058  .25118 .05742      .0497  .0413  .0409   .067 -.0061  .0016  .0033
Ag12 .41698  .74589 .06314      .0674   .109  .0323   .061 -.0095  .0169  .0098
Ag13 .16001  .00609 .19907      .0515  .0268  .0743  .0535  .0005  .0036 -.0153
Ag14 .34452   .0312 .18207      .1040  .0408   .223  .0485 -.0255 -.0032   .006
Ag15 .46082   .0105 .19473      .0641  .0568   .092  .0437  .0092  .0127  .0015
Ag16 .09767  .19270 .19874      .0614  .0560  .0755  .0528  .0193 -.0144 -.0256
Ag17 .22634  .17236 .19506      .0515  .0667  .0464  .0415  .0057  .0154 -.0053
Ag18 .41210   .2091 .18771      .0686  .0318   .115  .0588  .0029  .0036  .0330
Ag19 .05189  .37802 .19629      .0455  .0620  .0216  .0528 -.0164 -.0211  .0031
Ag20 .17386  .37652 .19196      .0514  .0617  .0601  .0323  .0090  .0071  .0135
Ag21 .29023  .36011 .19436      .0546  .0685  .0437  .0515  .0244  .0083  .0178
Ag22 .40168   .4163 .19268      .0692  .0766   .092  .0393 -.0418 -.0024 -.0208
Ag23 .06027  .63451 .19421      .0734  .0875  .0481   .085  .0251 -.0434 -.0158
Ag24  .1883   .6293 .18616      .0803   .129  .0776  .0338  .0762 -.0018 -.0053
Ag25 .31375  .60684 .19060      .0904   .149  .0889  .0331 -.0899  .0244 -.0138
Ag26 .46793  .59306 .18465      .0878   .169  .0526  .0416 -.0535 -.0044  .0075
Ag27 .02228  .90307 .18651      .0703  .0938  .0523  .0649 -.0405  .0328 -.0274
Ag28 .13263  .80886 .19465      .0755   .137  .0508  .0382  .0065 -.0199  .0105
Ag29  .2613   .8440  .1924      .1089   .212  .0628  .0515   .073  -.035 -.0144
Ag30 .41349   .8008 .18820      .0677  .0378   .128  .0370  .0107 -.0019  .0083
Sb1  .16697  .24560 .04547      .0255
Sb2  .16603  .75682 .04761 .940 .0248
As2  .16603  .75682 .04761 .060 .0248
Sb3  .42090 -.00620 .04553 .887 .0211
As3  .42090 -.00620 .04553 .113 .0211
Sb4  .41117  .50116 .04664 .970 .0230
As4  .41117  .50116 .04664 .030 .0230
Cu1       0   .2422    .25      .0258   .027   .040  .0106      0   .003      0
Cu2       0   .7547    .25       .057   .083   .048   .041      0   .005      0
Ag31 .24397  .50475 .24931      .0247  .0361  .0259  .0121  .0024 -.0038  .0013
S1    .1190   .1408  .0977      .0284
S2    .1341   .3762  .0927      .0259
S3    .2463   .2349  .0964      .0222
S4    .1351   .6280  .0930      .0234
S5   .11961   .8635  .1033      .0210
S6    .2454   .7580  .0969      .0246
S7    .4974  -.0055  .1036      .0251
S8    .3777   .1178  .0885      .0233
S9    .3794   .3746  .0957      .0264
S10  .49517   .5019  .0873      .0265
S11  .37779   .6152  .1086      .0179
S12   .3747   .8860  .0984      .0234
S13  .22953  -.0051 -.0002      .0308
S14   .4906   .7734  .0009      .0470
S15   .0743   .0162  .2328      .0280
S16   .2478   .0036  .1527      .0274
S17   .0024   .2555  .1610      .0205
S18   .3287   .2261  .2314      .0301
S19   .1004   .5042  .2324      .0296
S20  .24750   .4936  .1498      .0232
S21   .0006   .7404  .1610      .0353
S22   .3318   .7536 .23534      .0214
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 0.0001 GPa
_database_code_amcsd 0004848
7.279 7.279 17.667 90 90 120 P3_121
atom     x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SbB1 .3205     0   1/3     .0090  .0113  .0082  .0063  .0041  .0002  .0003
SbB2 .3306     0   5/6 .96 .0101  .0106  .0106  .0091  .0053 -.0001 -.0001
MgB2 .3306     0   5/6 .04 .0101  .0106  .0106  .0091  .0053 -.0001 -.0001
SbB3 .3340 .5031 .8348 .96 .0071  .0083  .0074  .0064  .0045  .0007  .0003
MgB3 .3340 .5031 .8348 .04 .0071  .0083  .0074  .0064  .0045  .0007  .0003
CaA1     0  .843   2/3 .92  .014   .006   .019   .013  .0028  -.001 -.0004
MnA1     0  .843   2/3 .08  .014   .006   .019   .013  .0028  -.001 -.0004
MnA2  .839     0   5/6 .92 .0193   .024   .028   .008  .0142  .0037   .008
SbA2  .839     0   5/6 .08 .0193   .024   .028   .008  .0142  .0037   .008
CaA3  .498 .3492 .6615 .94 .0132   .010   .012   .013   .003  -.002   .001
MnA3  .498 .3492 .6615 .06 .0132   .010   .012   .013   .003  -.002   .001
O1    .203  .217 .1469      .024   .018   .040   .020   .019   .003   .004
O2    .549  .609 .2028      .029   .060   .040   .009   .040   .003   .002
O3    .194  .638 .1482      .018   .003   .021   .018  -.004  -.002   .001
O4   -.037  .310 .0561      .020   .023   .023   .018   .014  -.004  -.007
O5   -.056  .801 .0564      .015   .016   .020   .018  -.004  -.002   .002
O6    .539  .402 .0557      .017   .014   .021   .012   .005  -.005   .002
O7    .540  .803 .0595      .015   .023   .012   .015   .013   .003   .002
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 2.25 GPa
_database_code_amcsd 0004849
7.243 7.243 17.570 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3193     0   1/3      .012
SbB2 .3298     0   5/6 .96  .010
MgB2 .3298     0   5/6 .04  .010
SbB3 .3351 .5002 .8354 .96 .0079
MgB3 .3351 .5002 .8354 .04 .0079
CaA1     0  .842   2/3 .92  .013
MnA1     0  .842   2/3 .08  .013
MnA2  .829     0   5/6 .92  .024
SbA2  .829     0   5/6 .08  .024
CaA3  .496 .3457 .6619 .94  .014
MnA3  .496 .3457 .6619 .06  .014
O1    .198  .210  .144      .031
O2    .561  .609  .199      .017
O3    .194  .636 .1609      .037
O4   -.028  .313  .056      .024
O5   -.056  .798  .069      .036
O6    .533  .399  .049      .008
O7    .542  .815  .070      .021
Download AMC data (View Text File)
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 4.23 GPa
_database_code_amcsd 0004850
7.218 7.218 17.510 90 90 120 P3_121
atom     x     y     z occ Uiso
SbB1 .3185     1   1/3     .016
SbB2 .3271     0   5/6 .96 .013
MgB2 .3271     0   5/6 .04 .013
SbB3 .3362 .5035 .8351 .96 .014
MgB3 .3362 .5035 .8351 .04 .014
CaA1     0  .839   2/3 .92 .014
MnA1     0  .839   2/3 .08 .014
MnA2  .834     0   5/6 .92 .030
SbA2  .834     0   5/6 .08 .030
CaA3  .487  .342  .662 .94 .023
MnA3  .487  .342  .662 .06 .023
O1    .199  .220  .151     .027
O2    .553  .604  .197     .019
O3    .191  .634  .164      .06
O4   -.030  .317  .053     .026
O5   -.048  .797  .065     .033
O6    .527  .401  .053     .008
O7    .553  .825  .065     .018
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 5.41 GPa
_database_code_amcsd 0004851
7.204 7.204 17.450 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3170     0   1/3      .018
SbB2 .3279     0   5/6 .96 .0142
MgB2 .3279     0   5/6 .04 .0142
SbB3 .3368 .5006 .8360 .96 .0132
MgB3 .3368 .5006 .8360 .04 .0132
CaA1     0  .832   2/3 .92  .007
MnA1     0  .832   2/3 .08  .007
MnA2  .829     0   5/6 .92  .019
SbA2  .829     0   5/6 .08  .019
CaA3  .487  .344 .6652 .94  .010
MnA3  .487  .344 .6652 .06  .010
O1    .201  .212  .151      .012
O2    .565  .605  .193      .034
O3    .188  .628  .161      .027
O4   -.024  .322  .048      .037
O5   -.044  .811  .062      .030
O6    .540  .399  .041      .005
O7    .537  .801  .068      .031
Download AMC data (View Text File)
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 6.38 GPa
_database_code_amcsd 0004852
7.182 7.182 17.465 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3188     0   1/3      .004
SbB2 .3303     0   5/6 .96 .0085
MgB2 .3303     0   5/6 .04 .0085
SbB3 .3360 .5001 .8343 .96 .0033
MgB3 .3360 .5001 .8343 .04 .0033
CaA1     0  .840   2/3 .92  .018
MnA1     0  .840   2/3 .08  .018
MnA2  .826     0   5/6 .92  .025
SbA2  .826     0   5/6 .08  .025
CaA3  .491  .348 .6623 .94  .015
MnA3  .491  .348 .6623 .06  .015
O1    .197  .202  .153      .037
O2    .559  .609  .188      .026
O3    .191  .628  .154      .022
O4   -.035  .304  .047      .021
O5   -.052  .802  .068      .018
O6    .536  .400  .042      .017
O7    .552  .816  .068      .017
Download AMC data (View Text File)
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Ingersonite
Download hom/ingersonite.pdf
Zanazzi P F, Chelazzi L, Bonazzi P, Bindi L
Download am/vol94/AM94_352.pdf
American Mineralogist 94 (2009) 352-358
High-pressure structural behavior of ingersonite, Ca3Mn2+Sb45+O14:
An in-situ single-crystal X-ray study
Locality: Langban mine, Varmland, Sweden
Note: P = 7.42 GPa
_database_code_amcsd 0004853
7.170 7.170 17.406 90 90 120 P3_121
atom     x     y     z occ  Uiso
SbB1 .3191     0   1/3      .015
SbB2 .3313     0   5/6 .96  .016
MgB2 .3313     0   5/6 .04  .016
SbB3 .3364 .4986 .8340 .96 .0114
MgB3 .3364 .4986 .8340 .04 .0114
CaA1     0  .844   2/3 .92  .018
MnA1     0  .844   2/3 .08  .018
MnA2  .827     0   5/6 .92  .026
SbA2  .827     0   5/6 .08  .026
CaA3  .500  .349  .659 .94  .025
MnA3  .500  .349  .659 .06  .025
O1    .199  .203  .145      .023
O2    .545  .605  .172       .05
O3    .197  .637  .151       .07
O4   -.046  .293  .045      .029
O5   -.044  .799  .054      .017
O6    .534  .406  .042      .011
O7    .559  .819  .074      .031
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Fettelite
Download hom/fettelite.pdf
Bindi L, Keutsch F N, Francis C A, Menchetti S
Download am/vol94/AM94_609.pdf
American Mineralogist 94 (2009) 609-615
Fettelite, [Ag6As2S7][Ag10HgAs2S8] from Chanarcillo, Chile:
Crystal structure, pseudosymmetry, twinning, and revised chemical formula
Locality: Chanarcillo, Chile
_database_code_amcsd 0004906
26.0388 15.0651 15.5361 90 90.48 90 C2
atom       x      y      z  occ  Uiso
Hg1   .12320 .10984 .50147      .0360
Hg2   .13062 .61547 .50052      .0360
Ag1   .27953  .8412  .9149      .0307
Ag2    .0779  .4708  .0866      .0353
Ag3   .04809  .6250 -.0958      .0314
Ag4  -.02875  .3891  .0898      .0285
Ag5  -.03269 -.1126  .0903      .0336
Ag6    .0774 -.0199  .0867      .0355
Ag7   .04708  .1234  .9050      .0328
Ag8    .1669  .2503  .9109      .0339
Ag9   .20505  .1017  .0980      .0290
Ag10  .28171  .3295  .9117      .0344
Ag11   .1785  .7510  .9124      .0365
Ag12  .20053  .6158  .0937      .0330
Ag13  .12915 -.1234  .7115      .0332
Ag14  .11721  .6314  .3025      .0315
Ag15  .01754  .7331  .3082      .0316
Ag16  .01463  .2324  .2960      .0316
Ag17  .13128  .3792  .7070      .0338
Ag18   .2356  .4881  .6979      .0345
Ag19  .11999  .1351  .3084      .0335
Ag20       0  .7553     .5      .0358
Ag21  .13653  .0792  .6901      .0253
Ag22  .18308  .2989  .5006      .0275
Ag23   .1381  .5810  .6946      .0375
Ag24  .11439  .3315  .2991      .0345
Ag25  .17871  .8062  .4976      .0353
Ag26   .2345 -.0113  .6951      .0355
Ag27  .06948 -.0801  .5021      .0323
Ag28  .11638  .8386  .2938      .0288
Ag29  .24814  .1456  .5009      .0335
Ag30       0  .2931     .5      .0364
Ag31  .24920  .4541  .5018      .0331
Ag32       0  .1002     .5      .0378
Ag33  .07288  .4245  .5011      .0336
Ag34       0  .5604     .5      .0313
As1    .0851  .2307  .0728      .0217
As2    .0806  .7307  .0738      .0253
As3    .1669  .4913  .9289 .725 .0246
Sb3    .1669  .4913  .9289 .275 .0246
As4    .1692 -.0067  .9268 .841 .0225
Sb4    .1692 -.0067  .9268 .159 .0225
As5    .2487  .7381  .2850      .0209
As6    .0002  .4774  .2858 .789 .0218
Sb6    .0002  .4774  .2858 .211 .0218
As7    .0012 -.0188  .7148 .838 .0223
Sb7    .0012 -.0188  .7148 .162 .0223
As8    .2506  .2385  .2848      .0250
S1     .0064  .7478  .1519       .028
S2     .1173  .1155  .1525       .024
S3     .2429  .4715  .8579       .025
S4     .1350  .6087  .8548       .018
S5     .0105  .2481  .1396       .023
S6     .1258 -.1116  .8735       .023
S7     .1204  .3828  .8622       .024
S8     .1227  .8454  .1289       .022
S9     .1128  .6157  .1467       .028
S10    .1259  .3399  .1334       .027
S11    .2412 -.0222  .8569       .025
S12    .2541  .7060 -.0035       .026
S13    .1316  .1011  .8502       .023
S14        0  .5194      0       .026
S15        0  .0196      0       .023
S16    .2131  .8538  .3592       .023
S17    .0753 -.0205  .3542       .025
S18    .0858  .7411  .4348       .020
S19    .0829  .2334  .4367       .018
S20    .1663 -.0215  .5604       .022
S21    .2127  .6207  .3506       .019
S22    .0740  .4778  .3518       .024
S23    .0439 -.1278  .6517       .027
S24   -.0379  .3667  .3497       .022
S25   -.0366  .5928  .3545       .025
S26    .1744  .2443  .6456       .022
S27    .2113  .3538  .3564       .024
S28    .2859  .6229  .6494       .020
S29   -.0341  .0945  .3608       .029
S30    .1696  .7348  .6456       .018
S31    .1612  .4833  .5619       .023
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Fettelite
Download hom/fettelite.pdf
Bindi L, Menchetti S
 
American Mineralogist 96 (2011) 792-796
Fast ion conduction character and ionic phase-transition in silver sulfosalts:
The case of fettelite [Ag6As2S7][Ag10HgAs2S8]
Note: T = 400 K
Locality: Synthetic
_database_code_amcsd 0018386
7.5984 7.5984 15.557 90 90 120 P-3m1
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ag1  .46798 .53202 .30158      .0475  .0454  .0454  .0412  .0149 -.00711 .00711
Ag2  .29657 .14829 .08926      .0613  .0451  .0615  .0718  .0225  -.0365 -.0183
Ag3      .5      0     .5 .854  .077   .138   .028  .0277  .0141   .0003  .0005
Ag4    .275      0     .5  .20  .040   .053   .035   .026  .0173   .0096   .019
Ag5    .201      0     .5  .33  .080   .103   .096   .039   .048  -.0057  -.011
As1     1/3    2/3 .07345      .0283  .0353  .0353  .0143  .0176       0      0
As2       0      0 .28096 .776 .0288  .0349  .0349  .0165  .0175       0      0
Sb2       0      0 .28096 .224 .0288  .0349  .0349  .0165  .0175       0      0
S1    .4840  .5160  .1430      .0587   .081   .081  .0473   .066   .0020 -.0020
S2    .3033 .15166 .35386      .0288  .0318  .0309  .0239  .0159   .0017  .0008
S3      1/3    2/3 .43642      .0288  .0353  .0353  .0160  .0176       0      0
S4        0      0      0       .090   .092   .092   .087   .046       0      0
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Menchettiite
 
Bindi L, Keutsch F N, Bonazzi P
 
American Mineralogist 97 (2012) 440-446
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt,
belonging to the lillianite series from the Uchucchacua polymetallic
deposit, Lima Department, Peru
Note site occupancy model I
Locality: Uchucchacua, Lima Department, Peru
_database_code_amcsd 0018781
19.233 12.633 8.476 90 90.08 90 P2_1/n
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
SbM1   .1373 .3542 .1313 .77  .078   .059   .118   .056   .013   .013   .015
MnM1   .1373 .3542 .1313 .18  .078   .059   .118   .056   .013   .013   .015
PbM1   .1373 .3542 .1313 .05  .078   .059   .118   .056   .013   .013   .015
AsM2   .0605 .6271 .1220 .57  .035   .035   .026   .044  -.006   .005  -.008
SbM2   .0605 .6271 .1220 .43  .035   .035   .026   .044  -.006   .005  -.008
PbM3   .2427 .5750 .3818 .65  .072   .056   .097   .064   .026   .010   .018
SbM3   .2427 .5750 .3818 .35  .072   .056   .097   .064   .026   .010   .018
AgM4   .3593 .3320 .1296      .078   .074   .085   .074   .049   .024   .016
MnM5   .4529 .6006 .1302 .58  .039   .032   .046   .038   .004 -.0007  -.001
PbM5   .4529 .6006 .1302 .42  .039   .032   .046   .038   .004 -.0007  -.001
SbM6   .1185 .3444 .6177     .0457   .056   .035   .046  -.002   .008  -.002
SbM7   .0535 .6435 .6442 .68  .046   .026   .054   .058   .005   .003  -.023
AsM7   .0535 .6435 .6442 .32  .046   .026   .054   .058   .005   .003  -.023
PbM8  .24490 .5865 .8809     .0394  .0331  .0354  .0497  .0022 -.0058   .001
MnM9   .3643 .3519  .623      .027   .024   .024   .033  -.003  -.001   .006
AsM10  .4377 .6106 .6362     .0224   .026   .015   .026   .001   .002   .004
S1     .1004 .5071  .331      .036   .033   .043   .031   .005   .005   .016
S2    -.0065 .2378  .157      .039   .034   .033   .050   .006   .007   .006
S3     .2553 .4399  .142      .035   .041   .030   .034   .011  -.002  -.002
S4     .1630 .7261  .102      .024   .027   .025   .020  -.004   .004  -.005
S5     .3916 .5128  .431      .042   .042   .018   .067   .000   .010   .003
S6     .3440 .7213  .109      .048   .028   .032   .084  -.009  -.001   .005
S7     .0927 .5105  .914      .041   .033   .016   .073  -.005   .005   .003
S8     .4838  .280  .076      .044   .045   .053   .033   .016  -.002   .007
S9     .2370 .4284  .619      .038   .030   .022   .062   .005   .002   .008
S10    .1650 .7242  .638      .045   .033   .023   .079   .008   .019  -.019
S11    .4005 .4954  .830      .032   .034   .032   .030   .008  -.005   .003
S12    .3429 .7300  .658      .027   .026   .035   .019  -.003  -.002   .007
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Menchettiite
 
Bindi L, Keutsch F N, Bonazzi P
 
American Mineralogist 97 (2012) 440-446
Menchettiite, AgPb2.40Mn1.60Sb3As2S12, a new sulfosalt,
belonging to the lillianite series from the Uchucchacua polymetallic
deposit, Lima Department, Peru
Note site occupancy model II
Locality: Uchucchacua, Lima Department, Peru
_database_code_amcsd 0018782
19.233 12.633 8.476 90 90.08 90 P2_1/n
atom       x     y     z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
MnM1   .1373 .3542 .1313 .60  .078   .059   .118   .056   .013   .013   .015
PbM1   .1373 .3542 .1313 .40  .078   .059   .118   .056   .013   .013   .015
AsM2   .0605 .6271 .1220 .57  .035   .035   .026   .044  -.006   .005  -.008
SbM2   .0605 .6271 .1220 .35  .035   .035   .026   .044  -.006   .005  -.008
PbM3   .2427 .5750 .3818 .65  .072   .056   .097   .064   .026   .010   .018
SbM3   .2427 .5750 .3818 .35  .072   .056   .097   .064   .026   .010   .018
AgM4   .3593 .3320 .1296      .078   .074   .085   .074   .049   .024   .016
SbM5   .4529 .6006 .1302 .77  .039   .032   .046   .038   .004 -.0007  -.001
PbM5   .4529 .6006 .1302 .23  .039   .032   .046   .038   .004 -.0007  -.001
SbM6   .1185 .3444 .6177     .0457   .056   .035   .046  -.002   .008  -.002
SbM7   .0535 .6435 .6442 .68  .046   .026   .054   .058   .005   .003  -.023
AsM7   .0535 .6435 .6442 .32  .046   .026   .054   .058   .005   .003  -.023
PbM8  .24490 .5865 .8809     .0394  .0331  .0354  .0497  .0022 -.0058   .001
MnM9   .3643 .3519  .623      .027   .024   .024   .033  -.003  -.001   .006
AsM10  .4377 .6106 .6362     .0224   .026   .015   .026   .001   .002   .004
S1     .1004 .5071  .331      .036   .033   .043   .031   .005   .005   .016
S2    -.0065 .2378  .157      .039   .034   .033   .050   .006   .007   .006
S3     .2553 .4399  .142      .035   .041   .030   .034   .011  -.002  -.002
S4     .1630 .7261  .102      .024   .027   .025   .020  -.004   .004  -.005
S5     .3916 .5128  .431      .042   .042   .018   .067   .000   .010   .003
S6     .3440 .7213  .109      .048   .028   .032   .084  -.009  -.001   .005
S7     .0927 .5105  .914      .041   .033   .016   .073  -.005   .005   .003
S8     .4838  .280  .076      .044   .045   .053   .033   .016  -.002   .007
S9     .2370 .4284  .619      .038   .030   .022   .062   .005   .002   .008
S10    .1650 .7242  .638      .045   .033   .023   .079   .008   .019  -.019
S11    .4005 .4954  .830      .032   .034   .032   .030   .008  -.005   .003
S12    .3429 .7300  .658      .027   .026   .035   .019  -.003  -.002   .007
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Manganoquadratite
 
Bonazzi P, Keutsch F N, Bindi L
 
American Mineralogist 97 (2012) 1199-1205
Manganoquadratite, AgMnAsS3, a new manganese-bearing sulfosalt from the Uchucchacua
polymetallic deposit, Lima Department, Peru: Description and crystal structure
Locality: Uchucchacua polymetallic deposit, Lima Department, Peru
_database_code_amcsd 0019063
5.4496 5.4496 32.949 90 90 90 P4_322
atom     x     y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag   .7366 .2344 .03502     .0353   .035   .034  .0373 -.0037  .0089 -.0071
Mn1  .2153 .2153   .125      .023   .027   .027   .012   .006  .0016 -.0016
Mn2  .7105 .7105   .125      .027   .032   .032   .016  -.002  -.001   .001
As   .2381 .7380 .04808 .81 .0209  .0173   .025  .0207 -.0047  .0037 -.0014
AsSb .2381 .7380 .04808 .19 .0209  .0173   .025  .0207 -.0047  .0037 -.0014
S1   .1959 .7002 .11962     .0252   .026   .034   .014  -.007   .006   .002
S2   .6671  .709  .0491      .030   .025   .046   .018  -.006   .001   .001
S3    .211 .1633  .0477      .029   .042   .024   .020  -.005  -.001   .001
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Phase-X
 
Welch M D, Konzett J, Bindi L, Kohn S C, Frost D J
 
American Mineralogist 97 (2012) 1849-1857
New structural features of the high-pressure synthetic
sheet-disilicate Phase-X, K(2-x)Mg2Si2O7Hx
Locality: synthetic
_database_code_amcsd 0019573
5.0646 5.0646 13.2379 90 90 120 P6_3/mcm
atom     x    y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K     .354 .644    .25  .25  .024   .015   .026  .0086  -.008      0      0
H        0  .46    .14 1/12
Mg     1/3  2/3      0      .0119  .0128  .0128  .0102  .0064      0      0
Si       0    0 .12314      .0079  .0094  .0094  .0048  .0047      0      0
O1       0    0    .25      .0119   .016   .016   .004  .0078      0      0
O2   .3099    0  .4100      .0094  .0089  .0106  .0091  .0053 -.0009      0
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Quadratite
 
Bindi L, Spry P G, Bonazzi P, Makovicky E, Balic-Zunic T
 
American Mineralogist 98 (2013) 242-247
Quadratite, AgCdAsS3:Chemical composition, crystal structure and OD character
Locality: Lengenbach, Binntal, Switzerland
_database_code_amcsd 0019742
5.5229 5.5229 33.399 90 90 90 P4_322
atom      x     y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CdM1  .2429 .2429   .125  .58 .0237  .0246  .0246  .0220   .001 -.0001  .0001
AgM1  .2429 .2429   .125  .42 .0237  .0246  .0246  .0220   .001 -.0001  .0001
CdM2  .7382 .7382   .125      .0235  .0227  .0227  .0249  -.001 -.0003  .0003
AgM3   .748  .236  .0337 .787 .0240  .0247  .0286   .019 -.0012  -.001   .003
PbM3'  .740  .242  .0417 .213 .0240  .0247  .0286   .019 -.0012  -.001   .003
As    .2559 .7443 .04947      .0208  .0206  .0212  .0205  -.001 -.0007  .0001
S1    .2220 .7364 .11861      .0201   .024   .018   .019   .002   .003   .002
S2    .6646 .7249  .0474      .0254   .028   .022   .026   .002   .004  -.001
S3    .2334 .1620 .04691      .0208   .016   .033   .014   .002   .003   .001
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Filipstadite
Download hom/filipstadite.pdf
Bonazzi P, Chelazzi L, Bindi L
 
American Mineralogist 98 (2013) 361-366
Superstructure, crystal chemistry, and cation distribution in filipstadite,
a Sb5+-bearing, spinel-related mineral
Locality: Langban, Filipstad district, Varmland, Sweden
_database_code_amcsd 0019779
25.9300 25.9300 25.9300 90 90 90 *Fd3m
.125 .125 .125
atom         x        y       z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Sb1         .5       .5      .5      .0191  .0191  .0191  .0191 -.00035 -.00035 -.00035
Sb2   -.083172 -.083172  .16703 .653 .0209  .0204  .0204  .0219 -.00015  .00135  .00135
Mg2   -.083172 -.083172  .16703 .347 .0209  .0204  .0204  .0219 -.00015  .00135  .00135
Sb3     .00019   .00019  .16626 .385 .0223  .0223  .0223  .0222  -.0008  -.0024  -.0024
Mg3     .00019   .00019  .16626 .615 .0223  .0223  .0223  .0222  -.0008  -.0024  -.0024
Sb4     .08548   .08548  .50417 .125 .0255  .0278  .0278  .0210  -.0071  -.0010  -.0010
Mg4     .08548   .08548  .50417 .875 .0255  .0278  .0278  .0210  -.0071  -.0010  -.0010
Sb5          0   .08217 -.08217 .257 .0234  .0235  .0234  .0234   .0021   .0021  -.0028
Mg5          0   .08217 -.08217 .743 .0234  .0235  .0234  .0234   .0021   .0021  -.0028
Sb6     .16674   .16674  .16674 .364 .0217  .0217  .0217  .0217  -.0022  -.0022  -.0022
Mg6     .16674   .16674  .16674 .635 .0217  .0217  .0217  .0217  -.0022  -.0022  -.0022
FeT1    .29109   .29109  .29109  .94 .0240  .0240  .0240  .0240  -.0003  -.0003  -.0003
MgTM1   .29109   .29109  .29109  .06 .0240  .0240  .0240  .0240  -.0003  -.0003  -.0003
FeT2    .04165   .04165  .37540  .94 .0235  .0237  .0237  .0230   .0011  -.0011  -.0011
MgTM2   .04165   .04165  .37540  .06 .0235  .0237  .0237  .0230   .0011  -.0011  -.0011
FeT3     .3750    .3750   .3750  .89 .0221  .0221  .0221  .0221    .000    .000    .000
MgTM3    .3750    .3750   .3750  .11 .0221  .0221  .0221  .0221    .000    .000    .000
FeT4    .04204   .04204  .04204  .91 .0217  .0217  .0217  .0217  -.0001  -.0001  -.0001
MgTM4   .04204   .04204  .04204  .09 .0217  .0217  .0217  .0217  -.0001  -.0001  -.0001
FeT5    .95808    .1250   .1250  .90 .0185  .0181  .0186  .0186    .000    .000   .0014
MgTM5   .95808    .1250   .1250  .10 .0185  .0181  .0186  .0186    .000    .000   .0014
O1      .07970   .07970  .24693      .0231  .0242  .0242   .021   .0107   .0024   .0024
O2     -.08050  -.08050  .08849      .0245  .0255  .0255   .023   .0039   .0031   .0031
O3      .16329  -.00514 -.07966      .0243  .0238  .0230  .0263   .0001  -.0050  -.0064
O4     -.08474  -.08474  .24570      .0226  .0219  .0219   .024   .0047   .0067   .0067
O5      .00307   .00307  .57536      .0206  .0232  .0232  .0154   .0062   .0002   .0002
O6       .0863    .0863   .0863      .0265  .0265  .0265  .0265    .005    .005    .005
O7      .08847   .08847  .42015      .0220  .0210  .0210   .024   .0017   .0046   .0046
O8      .24656   .24656  .24656      .0230  .0230  .0230  .0230   .0028   .0028   .0028
O9     -.00228  -.00228   .0865      .0272  .0285  .0285   .025   .0050  -.0087  -.0087
O10     .41673   .41673  .41673      .0261  .0261  .0261  .0261  -.0007  -.0007  -.0007
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Alnaperboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST4_11
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0019995
8.9277 5.6548 17.5870 90 116.475 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1  .7322    .25 .40969 .942  .0229  .0283  .0216  .0226      0  .0147      0
CeA1  .7322    .25 .40969 .058  .0229  .0283  .0216  .0226      0  .0147      0
CeA2 .88965    .25 .24991 .895 .01979  .0162  .0236  .0162      0 .00421      0
CaA2 .88965    .25 .24991 .105 .01979  .0162  .0236  .0162      0 .00421      0
CeA3 .73978    .25 .01013 .887  .0375  .0292  .0641  .0134      0  .0042      0
CaA3 .73978    .25 .01013 .113  .0375  .0292  .0641  .0134      0  .0042      0
CeA4 .08128    .75 .16453 .857 .01982  .0155  .0264  .0151      0 .00453      0
CaA4 .08128    .75 .16453 .143 .01982  .0155  .0264  .0151      0 .00453      0
AlM1     .5     .5     .5       .0137  .0101  .0134  .0156  .0006  .0038 -.0003
AlM2 .48267 -.0005 .20505 .973  .0132  .0094  .0122  .0155 -.0002  .0033 -.0004
FeM2 .48267 -.0005 .20505 .027  .0132  .0094  .0122  .0155 -.0002  .0033 -.0004
AlM3  .1988    .75 .37557 .598  .0207  .0186  .0173  .0235      0  .0070      0
FeM3  .1988    .75 .37557 .402  .0207  .0186  .0173  .0235      0  .0070      0
Si1   .1627    .25 .47554       .0135  .0107  .0140  .0151      0  .0051      0
Si2   .8084    .75 .33735       .0128  .0120  .0121  .0149      0  .0064      0
Si3   .3072    .25 .31363       .0122  .0097  .0155  .0128      0  .0063      0
Si4   .6723    .75 .10427       .0160  .0140  .0171  .0185      0  .0086      0
Si5   .1564    .25 .07730       .0119  .0084  .0106  .0132      0  .0018      0
O1    .2668  .4926  .4783       .0224  .0139  .0164   .041 -.0022  .0156 -.0073
O2    .1837  .4802  .2924       .0217  .0178   .028   .021  .0090  .0109  .0052
O3    .6982  .9864  .2969       .0189  .0137  .0103   .024 -.0027  .0002 -.0027
O4    .4413    .75  .4240       .0160   .012   .016   .018      0   .005      0
O5    .4525    .25  .4140       .0154   .016   .016   .013      0   .005      0
O6    .4193    .25  .2603       .0147   .015   .016   .018      0   .012      0
O7   -.0172    .25  .3969       .0218   .014   .016   .024      0  -.003      0
O8   -.0311    .75  .3207       .0385   .034   .037   .065      0   .040      0
O9    .8654    .75  .4391       .0336   .040   .045   .019      0   .016      0
OH10  .5579    .25  .1632       .0146   .013   .011   .018      0   .005      0
OH11  .4065    .75  .2482       .0178   .015   .012   .024      0   .007      0
O12   .5396    .75  .1471       .0139   .012   .013   .019      0   .009      0
O13   .2702  .4905  .1104       .0195  .0139  .0118   .026 -.0025  .0031  .0002
O14   .7958 -.0232  .1334       .0267   .027   .020   .044 -.0076   .025 -.0060
O15   .5550  .6826  .0047  .50   .031   .040   .036   .016  -.009   .011  -.003
O16   .0626    .25 -.0232        .056   .069   .060   .013      0  -.006      0
O17   .0235    .25  .1163       .0428   .026   .065   .050      0   .028      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alnaperboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST4_09
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0019996
8.9310 5.6574 17.6000 90 116.517 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1  .7317    .25 .41031 .947  .0253  .0282  .0221  .0263      0  .0129      0
CeA1  .7317    .25 .41031 .053  .0253  .0282  .0221  .0263      0  .0129      0
CeA2 .88957    .25 .24985 .922 .01981  .0159  .0222  .0176      0  .0041      0
CaA2 .88957    .25 .24985 .078 .01981  .0159  .0222  .0176      0  .0041      0
CeA3 .73976    .25 .01017 .913  .0362  .0262  .0616  .0149      0  .0038      0
CaA3 .73976    .25 .01017 .087  .0362  .0262  .0616  .0149      0  .0038      0
CeA4 .08087    .75 .16464 .887 .01985  .0154  .0244  .0167      0  .0045      0
CaA4 .08087    .75 .16464 .113 .01985  .0154  .0244  .0167      0  .0045      0
AlM1     .5     .5     .5 .979  .0150  .0111  .0115  .0200 -.0001  .0049 -.0011
FeM1     .5     .5     .5 .021  .0150  .0111  .0115  .0200 -.0001  .0049 -.0011
AlM2 .48248  .0002 .20517 .951  .0150  .0097  .0137  .0194  .0000  .0046  .0003
FeM2 .48248  .0002 .20517 .049  .0150  .0097  .0137  .0194  .0000  .0046  .0003
FeM3  .1988    .75 .37601 .448  .0217  .0188  .0159  .0284      0  .0086      0
AlM3  .1988    .75 .37601 .552  .0217  .0188  .0159  .0284      0  .0086      0
Si1   .1620    .25 .47562       .0141  .0120  .0122  .0173      0  .0058      0
Si2   .8084    .75 .33730       .0131  .0116  .0112  .0174      0  .0073      0
Si3   .3069    .25 .31357       .0118  .0071  .0141  .0146      0  .0053      0
Si4   .6722    .75 .10404       .0158  .0128  .0180  .0178      0  .0078      0
Si5   .1561    .25 .07737       .0132  .0112  .0109  .0133      0  .0018      0
O1    .2651  .4914  .4776       .0215   .016   .016   .036 -.0042  .0148 -.0079
O2    .1839  .4809  .2917       .0217   .017   .026   .026  .0095  .0136  .0058
O3    .6983  .9870  .2967       .0193  .0119  .0110   .027  .0003  .0010 -.0004
O4    .4416    .75  .4243       .0162   .013   .016   .018      0   .006      0
O5    .4524    .25  .4137       .0148   .018   .014   .013      0   .008      0
O6    .4198    .25  .2601       .0151   .016   .013   .022      0   .014      0
O7   -.0188    .25  .3978       .0227   .007   .017   .030      0  -.004      0
O8   -.0304    .75  .3217       .0384   .040   .036   .063      0   .043      0
O9    .8647    .75  .4388       .0308   .031   .043   .021      0   .013      0
OH10  .5572    .25  .1628       .0144   .013   .010   .019      0   .007      0
O11   .4062    .75  .2478       .0150   .009   .012   .020      0   .003      0
O12   .5402    .75  .1475       .0141   .011   .008   .024      0   .009      0
O13   .2700  .4900  .1105       .0183  .0091  .0112   .027 -.0011  .0015  .0009
O14   .7965 -.0232  .1335       .0250   .025   .017   .041 -.0046   .021 -.0038
O15   .5570  .6808  .0042  .50   .029   .033   .035   .022  -.012   .015  -.006
O16   .0633    .25 -.0236        .051   .065   .061   .011      0   .003      0
O17   .0244    .25  .1170       .0411   .019   .060   .052      0   .023      0
H1     .416    .75   .295         .03
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alnaperboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST3_01
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0019997
8.9205 5.6573 17.5715 90 116.500 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73172    .25 .40975 .947  .0234  .0285  .0226  .0209      0  .0125      0
CeA1 .73172    .25 .40975 .053  .0234  .0285  .0226  .0209      0  .0125      0
CeA2 .89009    .25 .24994 .926 .02004  .0175  .0231  .0148      0 .00298      0
CaA2 .89009    .25 .24994 .074 .02004  .0175  .0231  .0148      0 .00298      0
CeA3 .73994    .25 .01007 .923  .0374  .0302  .0621  .0126      0  .0029      0
CaA3 .73994    .25 .01007 .077  .0374  .0302  .0621  .0126      0  .0029      0
CeA4 .08081    .75 .16486 .887 .01994  .0171  .0248  .0141      0 .00350      0
CaA4 .08081    .75 .16486 .113 .01994  .0171  .0248  .0141      0 .00350      0
AlM1     .5     .5     .5 .986  .0148  .0134  .0130  .0150  .0005  .0036  .0002
FeM1     .5     .5     .5 .014  .0148  .0134  .0130  .0150  .0005  .0036  .0002
AlM2 .48239 -.0001 .20518 .972  .0141  .0105  .0130  .0153 -.0002  .0027 -.0002
FeM2 .48239 -.0001 .20518 .028  .0141  .0105  .0130  .0153 -.0002  .0027 -.0002
FeM3 .19783    .75 .37592 .454  .0195  .0184  .0163  .0188      0  .0037      0
AlM3 .19783    .75 .37592 .546  .0195  .0184  .0163  .0188      0  .0037      0
Si1   .1624    .25 .47604       .0140  .0125  .0137  .0140      0  .0043      0
Si2   .8076    .75 .33676       .0137  .0143  .0108  .0159      0  .0065      0
Si3   .3066    .25 .31347       .0133  .0110  .0150  .0127      0  .0043      0
Si4   .6722    .75 .10419       .0155  .0156  .0154  .0154      0  .0066      0
Si5   .1558    .25 .07729       .0132  .0111  .0103  .0142      0  .0021      0
O1    .2659  .4905  .4789       .0211  .0176  .0168   .031 -.0041  .0122 -.0064
O2    .1829  .4798  .2917       .0217  .0198   .028   .019  .0090  .0104  .0027
O3    .6964  .9878  .2968       .0196  .0155  .0137   .022 -.0016  .0013 -.0040
O4    .4424    .75  .4244       .0146   .014   .015   .015      0  .0070      0
O5    .4526    .25  .4141       .0149   .015   .015   .013      0  .0044      0
O6    .4189    .25  .2596       .0152   .013   .017   .017      0   .008      0
O7   -.0175    .25  .3972       .0215   .015   .014   .022      0  -.004      0
O8   -.0332    .75  .3195       .0385   .045   .030   .063      0   .044      0
O9    .8663    .75  .4391       .0319   .034   .040   .019      0   .010      0
OH10  .5569    .25  .1625       .0128   .012   .011   .016      0  .0067      0
O11   .4048    .75  .2475       .0174   .011   .015   .021      0   .003      0
O12   .5410    .75  .1471       .0144   .011   .013   .019      0  .0075      0
O13   .2698  .4909  .1106       .0187  .0132  .0118   .022 -.0025  .0002  .0024
O14   .7967 -.0237  .1337       .0268   .029  .0178   .040 -.0053   .021 -.0024
O15   .5547  .6822  .0040  .50   .031   .042   .029   .018  -.006   .009  -.007
O16   .0623    .25 -.0236        .053   .065   .062   .012      0  -.001      0
O17   .0246    .25  .1176       .0387   .024   .061   .038      0   .020      0
H1     .433    .75   .309         .04
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Alnaperboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: NE_01
Locality: Nedre Eivollen pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0019998
8.9546 5.6675 17.652 90 116.677 90 P2_1/m
atom      x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1  .7321    .25 .40986 .918 .0296  .0344  .0284  .0296      0  .0174      0
CeA1  .7321    .25 .40986 .082 .0296  .0344  .0284  .0296      0  .0174      0
CeA2 .88953    .25 .25023 .910 .0248  .0217  .0282  .0203      0  .0057      0
CaA2 .88953    .25 .25023 .090 .0248  .0217  .0282  .0203      0  .0057      0
CeA3 .73973    .25 .01002 .921 .0441  .0364  .0705  .0176      0  .0052      0
CaA3 .73973    .25 .01002 .079 .0441  .0364  .0705  .0176      0  .0052      0
CeA4 .08213    .75 .16457 .877 .0253  .0205  .0324  .0184      0  .0048      0
CaA4 .08213    .75 .16457 .123 .0253  .0205  .0324  .0184      0  .0048      0
AlM1     .5     .5     .5 .967 .0190  .0150  .0172  .0233  .0010  .0072 -.0016
FeM1     .5     .5     .5 .033 .0190  .0150  .0172  .0233  .0010  .0072 -.0016
AlM2  .4823 -.0004 .20513 .950 .0186  .0138  .0169  .0221  .0013  .0055  .0013
FeM2  .4823 -.0004 .20513 .050 .0186  .0138  .0169  .0221  .0013  .0055  .0013
FeM3  .1979    .75 .37598 .472 .0257  .0260  .0181  .0296      0  .0097      0
AlM3  .1979    .75 .37598 .528 .0257  .0260  .0181  .0296      0  .0097      0
Si1   .1628    .25 .47619      .0166  .0133  .0167  .0194      0  .0069      0
Si2   .8078    .75 .33724      .0165  .0143  .0171  .0186      0  .0078      0
Si3   .3068    .25 .31369      .0154  .0112  .0177  .0182      0  .0075      0
Si4   .6728    .75 .10417      .0190  .0195  .0206  .0192      0  .0108      0
Si5   .1564    .25 .07705      .0160  .0131  .0119  .0189      0  .0036      0
O1    .2667  .4902  .4794      .0259   .019   .021   .038  -.001   .012  -.006
O2    .1844  .4794  .2924      .0249   .019   .033   .026   .008   .014   .003
O3    .6957  .9875  .2968      .0219   .012   .015   .027 -.0020  -.001  -.004
O4    .4412    .75  .4245      .0175   .016   .020   .019      0   .010      0
O5    .4526    .25  .4136      .0212   .021   .023   .019      0   .008      0
O6    .4203    .25  .2605      .0166   .018   .014   .023      0   .014      0
O7   -.0163    .25  .3983      .0264   .024   .008   .025      0  -.008      0
O8   -.0288    .75  .3231       .040   .046   .038   .059      0   .044      0
O9    .8643    .75  .4383       .036   .043   .049   .022      0   .019      0
OH10  .5568    .25  .1628      .0172   .015   .010   .023      0   .005      0
O11   .4040    .75  .2471      .0181   .013   .017   .021      0   .005      0
O12   .5423    .75  .1477      .0205   .009   .018   .034      0   .010      0
O13   .2700  .4898  .1101      .0215   .015   .014   .027 -.0014   .001  -.005
O14   .7957 -.0236  .1333      .0297   .027   .025   .048  -.009   .026  -.002
O15   .5539  .6858  .0030  .50  .034   .041   .037   .019  -.013   .009  -.004
O16   .0633    .25 -.0232       .057   .078   .051   .018      0   .001      0
O17   .0262    .25  .1159       .046   .031   .067   .055      0   .031      0
H1     .438    .75   .316        .06
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST4_10
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0019999
8.9222 5.6650 17.5690 90 116.470 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73193    .25 .40999 .936  .0233  .0287  .0224  .0210      0  .0130      0
CeA1 .73193    .25 .40999 .064  .0233  .0287  .0224  .0210      0  .0130      0
CeA2 .88997    .25 .24990 .943 .01881  .0168  .0230 .01293      0 .00328      0
CaA2 .88997    .25 .24990 .057 .01881  .0168  .0230 .01293      0 .00328      0
CeA3 .73956    .25 .01001 .941  .0360  .0284  .0624 .01085      0 .00317      0
CaA3 .73956    .25 .01001 .059  .0360  .0284  .0624 .01085      0 .00317      0
CeA4 .08058    .75 .16494 .906 .01876  .0162  .0249 .01210      0 .00360      0
CaA4 .08058    .75 .16494 .094 .01876  .0162  .0249 .01210      0 .00360      0
AlM1     .5     .5     .5 .982  .0146  .0131  .0148  .0137  .0001  .0039  .0004
FeM1     .5     .5     .5 .018  .0146  .0131  .0148  .0137  .0001  .0039  .0004
AlM2 .48200      0 .20504 .978  .0124  .0093  .0124  .0135 -.0003  .0031 -.0003
FeM2 .48200      0 .20504 .022  .0124  .0093  .0124  .0135 -.0003  .0031 -.0003
FeM3 .19768    .75 .37633 .520  .0204  .0201  .0166  .0215      0  .0065      0
AlM3 .19768    .75 .37633 .480  .0204  .0201  .0166  .0215      0  .0065      0
Si1   .1622    .25 .47608       .0134  .0118  .0137  .0121      0  .0031      0
Si2   .8072    .75 .33686       .0129  .0122  .0141  .0125      0  .0056      0
Si3   .3063    .25 .31346       .0114  .0095  .0141  .0098      0  .0036      0
Si4   .6718    .75 .10387       .0144  .0126  .0171  .0149      0  .0073      0
Si5   .1562    .25 .07744       .0118  .0096  .0105  .0114      0  .0013      0
O1    .2660  .4901  .4789       .0204  .0147  .0172  .0315 -.0017  .0123 -.0062
O2    .1824  .4783  .2918       .0204  .0200  .0270  .0178  .0109  .0116  .0054
O3    .6963  .9870  .2972       .0181  .0145  .0114  .0194 -.0001 -.0004 -.0015
O4    .4421    .75  .4245       .0139   .013   .014  .0161      0  .0072      0
O5    .4512    .25  .4138       .0162   .019   .015  .0128      0  .0053      0
O6    .4201    .25  .2602       .0140   .013   .015  .0147      0  .0069      0
O7   -.0186    .25  .3976       .0190   .015   .013   .015      0 -.0064      0
O8   -.0352    .75  .3183       .0369   .037   .035   .057      0   .037      0
O9    .8649    .75  .4387       .0302   .036   .044   .009      0   .009      0
OH10  .5570    .25  .1622       .0129   .011   .013  .0130      0  .0037      0
O11   .4048    .75  .2480       .0140   .011   .011   .018      0  .0048      0
O12   .5404    .75  .1474       .0136   .013   .012   .019      0  .0096      0
O13   .2695  .4898  .1104       .0176  .0117  .0139  .0207 -.0009  .0015  .0000
O14   .7949 -.0242  .1332       .0225   .027  .0159  .0328 -.0047  .0205 -.0041
O15   .5551  .6839  .0042  .50  .0242   .032   .027   .012  -.007   .009  -.002
O16   .0628    .25 -.0225        .050   .064   .055   .011      0  -.002      0
O17   .0241    .25  .1168       .0382   .020   .063   .034      0   .015      0
H1     .465    .75   .332         .03
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST4_02
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020000
8.9165 5.6754 17.5253 90 116.321 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73232    .25 .40993 .973  .0198  .0233  .0204  .0180      0  .0111      0
CeA1 .73232    .25 .40993 .027  .0198  .0233  .0204  .0180      0  .0111      0
CeA2 .89058    .25 .24976 .969 .01699  .0134  .0224  .0129      0 .00379      0
CaA2 .89058    .25 .24976 .031 .01699  .0134  .0224  .0129      0 .00379      0
CeA3 .73944    .25 .00990 .952 .03223  .0221  .0592  .0115      0 .00381      0
CaA3 .73944    .25 .00990 .048 .03223  .0221  .0592  .0115      0 .00381      0
CeA4 .07896    .75 .16537 .944 .01680  .0130  .0228  .0129      0 .00415      0
CaA4 .07896    .75 .16537 .056 .01680  .0130  .0228  .0129      0 .00415      0
AlM1     .5     .5     .5 .995  .0132  .0117  .0139  .0139 -.0002  .0056 -.0002
FeM1     .5     .5     .5 .005  .0132  .0117  .0139  .0139 -.0002  .0056 -.0002
AlM2 .48144 -.0001 .20512 .985  .0119  .0075  .0133  .0138  .0004  .0038 -.0002
FeM2 .48144 -.0001 .20512 .015  .0119  .0075  .0133  .0138  .0004  .0038 -.0002
FeM3 .19617    .75 .37628 .591  .0165  .0140  .0164  .0163      0  .0043      0
AlM3 .19617    .75 .37628 .409  .0165  .0140  .0164  .0163      0  .0043      0
Si1   .1622    .25 .47653       .0129  .0107  .0152  .0135      0  .0058      0
Si2   .8064    .75 .33609       .0125  .0122  .0126  .0129      0  .0059      0
Si3   .3054    .25 .31315       .0118  .0097  .0159  .0106      0  .0053      0
Si4   .6702    .75 .10339       .0142  .0110  .0172  .0153      0  .0067      0
Si5   .1549    .25 .07762       .0110  .0093  .0092  .0119      0  .0023      0
O1    .2672  .4909  .4805       .0187  .0138  .0162  .0270 -.0012  .0097 -.0041
O2    .1813  .4762  .2907       .0201  .0178  .0259  .0194  .0078  .0109  .0055
O3    .6953  .9866  .2975       .0169  .0151  .0120  .0172 -.0016  .0014 -.0004
O4    .4423    .75  .4245       .0156   .014   .017   .015      0  .0059      0
O5    .4512    .25  .4132       .0134   .013   .014   .015      0  .0081      0
O6    .4187    .25  .2596       .0130   .013   .012   .015      0  .0081      0
O7   -.0164    .25  .3972       .0177   .012   .017   .018      0  .0008      0
O8   -.0382    .75  .3143       .0319   .033   .034   .044      0   .030      0
O9    .8698    .75  .4383       .0279   .027   .043   .016      0   .012      0
OH10  .5570    .25  .1622       .0109   .006   .012   .012      0  .0021      0
O11   .4036    .75  .2487       .0138   .007   .012   .018      0  .0026      0
O12   .5387    .75  .1473       .0114   .009   .013   .017      0  .0099      0
O13   .2687  .4903  .1102       .0172  .0109  .0120  .0228 -.0046  .0020 -.0019
O14   .7938 -.0245  .1328       .0225   .025  .0188   .034 -.0048  .0219 -.0043
O15   .5539  .6798  .0045  .50   .026   .028   .025   .021  -.004   .009  -.004
O16   .0626    .25 -.0235       .0491   .056   .064   .013      0   .002      0
O17   .0234    .25  .1170       .0331   .017   .056   .035      0   .020      0
H1     .438    .75   .323         .08
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_01
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020001
8.9327 5.6817 17.5807 90 116.465 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73250    .25 .40977 .934  .0212  .0272  .0187  .0204      0  .0131      0
CeA1 .73250    .25 .40977 .066  .0212  .0272  .0187  .0204      0  .0131      0
CeA2 .89117    .25 .24969 .949 .01753 .01653  .0191 .01348      0 .00352      0
CaA2 .89117    .25 .24969 .051 .01753 .01653  .0191 .01348      0 .00352      0
CeA3 .73982    .25 .00977 .938 .03453  .0277  .0586  .0112      0 .00324      0
CaA3 .73982    .25 .00977 .062 .03453  .0277  .0586  .0112      0 .00324      0
CeA4 .07940    .75 .16531 .928 .01735 .01633  .0196 .01327      0 .00401      0
CaA4 .07940    .75 .16531 .072 .01735 .01633  .0196 .01327      0 .00401      0
AlM1     .5     .5     .5 .977  .0128  .0134  .0095  .0146  .0007  .0054 -.0007
FeM1     .5     .5     .5 .023  .0128  .0134  .0095  .0146  .0007  .0054 -.0007
AlM2 .48129  .0003 .20515 .965  .0122  .0108  .0089  .0149  .0005  .0040  .0003
FeM2 .48129  .0003 .20515 .035  .0122  .0108  .0089  .0149  .0005  .0040  .0003
FeM3 .19507    .75 .37608 .624  .0172  .0176  .0129  .0162      0  .0032      0
AlM3 .19507    .75 .37608 .376  .0172  .0176  .0129  .0162      0  .0032      0
Si1   .1623    .25 .47693       .0117  .0126  .0094  .0119      0  .0045      0
Si2  .80604    .75 .33625       .0115  .0125  .0090  .0133      0  .0059      0
Si3  .30556    .25 .31300       .0109  .0117  .0100  .0112      0  .0054      0
Si4   .6712    .75 .10376       .0138  .0136  .0126  .0159      0  .0073      0
Si5  .15526    .25 .07740       .0112  .0103  .0071  .0120      0  .0011      0
O1    .2670  .4902  .4814       .0198  .0180  .0137  .0293 -.0027  .0121 -.0055
O2    .1812  .4776 .29045       .0177  .0163  .0203  .0179  .0086  .0089  .0056
O3    .6947  .9865 .29786       .0170  .0132  .0106  .0199  .0013  .0008  .0003
O4    .4422    .75  .4253       .0140  .0115   .013  .0137      0  .0026      0
O5    .4504    .25  .4136       .0147   .018  .0101  .0130      0  .0047      0
O6    .4188    .25  .2597       .0127  .0143  .0097  .0144      0  .0068      0
O7   -.0157    .25  .3967       .0170   .014   .014  .0138      0 -.0022      0
O8   -.0400    .75  .3141       .0345   .032   .038   .051      0   .033      0
O9    .8685    .75  .4388       .0260   .030   .035   .013      0  .0096      0
OH10  .5576    .25  .1631       .0118  .0100  .0111  .0128      0  .0038      0
O11   .4037    .75  .2483       .0143  .0100  .0083   .021      0  .0040      0
O12   .5395    .75  .1476       .0127  .0103  .0101   .017      0  .0058      0
O13   .2697  .4898  .1105       .0168  .0112  .0090  .0235 -.0006  .0016 -.0017
O14   .7945 -.0234  .1327       .0222  .0254  .0114  .0369 -.0029  .0204 -.0024
O15   .5533  .6841  .0047  .50  .0242   .035   .022   .015  -.008   .011  -.001
O16   .0631    .25 -.0230       .0491   .060   .062   .013      0   .005      0
O17   .0235    .25  .1167       .0341   .019   .051   .036      0   .016      0
H1     .417    .75   .328         .05
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_03
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020002
8.9313 5.6608 17.549 90 116.396 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73229    .25 .40997 .944  .0212  .0262  .0207  .0191      0  .0122      0
CeA1 .73229    .25 .40997 .056  .0212  .0262  .0207  .0191      0  .0122      0
CeA2 .89122    .25 .24965 .958 .01784  .0159  .0219  .0127      0 .00363      0
CaA2 .89122    .25 .24965 .042 .01784  .0159  .0219  .0127      0 .00363      0
CeA3 .74003    .25 .00973 .944  .0341  .0270  .0588  .0105      0  .0030      0
CaA3 .74003    .25 .00973 .056  .0341  .0270  .0588  .0105      0  .0030      0
CeA4 .07929    .75 .16549 .932 .01730  .0155  .0213  .0123      0 .00367      0
CaA4 .07929    .75 .16549 .068 .01730  .0155  .0213  .0123      0 .00367      0
AlM1     .5     .5     .5 .966  .0150  .0139  .0128  .0160 -.0005  .0045 -.0010
FeM1     .5     .5     .5 .034  .0150  .0139  .0128  .0160 -.0005  .0045 -.0010
AlM2 .48153  .0001 .20524 .962  .0133  .0111  .0114  .0149  .0004  .0036 -.0008
FeM2 .48153  .0001 .20524 .038  .0133  .0111  .0114  .0149  .0004  .0036 -.0008
FeM3 .19482    .75 .37633 .660  .0174  .0156  .0149  .0168      0  .0028      0
AlM3 .19482    .75 .37633 .340  .0174  .0156  .0149  .0168      0  .0028      0
Si1   .1630    .25 .47704       .0115  .0140  .0087  .0116      0  .0055      0
Si2   .8060    .75 .33628       .0119  .0121  .0121  .0121      0  .0058      0
Si3   .3055    .25 .31277       .0113  .0092  .0139  .0102      0  .0037      0
Si4   .6713    .75 .10365       .0145  .0133  .0177  .0133      0  .0066      0
Si5   .1558    .25 .07787       .0110  .0108  .0088  .0100      0  .0016      0
O1    .2674  .4895  .4817       .0185   .014   .016   .028 -.0002  .0108 -.0028
O2    .1815  .4754  .2903       .0180   .018   .023  .0160  .0080  .0098  .0037
O3    .6941  .9870  .2977       .0173  .0148   .012  .0181  .0009  .0010  .0000
O4    .4409    .75  .4249       .0152   .009   .019   .018      0   .005      0
O5    .4504    .25  .4135       .0130   .012   .012   .012      0   .003      0
O6    .4185    .25  .2599       .0139   .018   .009   .016      0   .009      0
O7   -.0161    .25  .3973       .0162   .015   .009   .015      0  -.002      0
O8   -.0418    .75  .3137       .0338   .032   .040   .043      0   .029      0
O9    .8707    .75  .4389       .0266   .031   .035   .015      0   .011      0
OH10  .5583    .25  .1622       .0108   .011   .003   .016      0   .003      0
O11   .4026    .75  .2482       .0144   .008   .013   .020      0   .005      0
O12   .5408    .75  .1477       .0139   .012   .012   .019      0   .007      0
O13   .2696  .4904  .1104       .0174  .0140  .0089   .025 -.0025  .0043 -.0020
O14   .7939 -.0249  .1324       .0215   .022   .014   .039 -.0022  .0230 -.0027
O15   .5524  .6812  .0043  .50   .027   .032   .034   .012  -.007   .008   .001
O16   .0630    .25 -.0230        .049   .061   .056   .009      0  -.004      0
O17   .0241    .25  .1166       .0363   .022   .060   .030      0   .014      0
H1     .459    .75   .332         .09
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: HU_02
Locality: Hundholmen pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020003
8.9110 5.6866 17.5252 90 116.300 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73221    .25 .40998 .959  .0182  .0231  .0178  .0172      0  .0122      0
CeA1 .73221    .25 .40998 .041  .0182  .0231  .0178  .0172      0  .0122      0
CeA2 .89185    .25 .24954 .979 .01540 .01329  .0204 .01099      0 .00399      0
CaA2 .89185    .25 .24954 .021 .01540 .01329  .0204 .01099      0 .00399      0
CeA3 .73949    .25 .00968 .958 .03114  .0220  .0581  .0098      0 .00387      0
CaA3 .73949    .25 .00968 .042 .03114  .0220  .0581  .0098      0 .00387      0
CeA4 .07839    .75 .16574 .950 .01481 .01237  .0197 .01113      0 .00412      0
CaA4 .07839    .75 .16574 .050 .01481 .01237  .0197 .01113      0 .00412      0
AlM1     .5     .5     .5 .991  .0112  .0096  .0115  .0117  .0001  .0038  .0012
FeM1     .5     .5     .5 .009  .0112  .0096  .0115  .0117  .0001  .0038  .0012
AlM2 .48133  .0005 .20530 .973  .0113  .0082  .0117  .0133 -.0001  .0041  .0003
FeM2 .48133  .0005 .20530 .027  .0113  .0082  .0117  .0133 -.0001  .0041  .0003
FeM3 .19501    .75 .37640 .716  .0139  .0128  .0131  .0136      0  .0040      0
AlM3 .19501    .75 .37640 .284  .0139  .0128  .0131  .0136      0  .0040      0
Si1   .1625    .25 .47736       .0107  .0103  .0110  .0102      0  .0041      0
Si2   .8055    .75 .33574       .0104  .0103  .0105  .0114      0  .0055      0
Si3   .3050    .25 .31262       .0095  .0081  .0126  .0088      0  .0048      0
Si4   .6697    .75 .10297       .0118  .0098  .0154  .0120      0  .0065      0
Si5  .15529    .25 .07759       .0092  .0081  .0095  .0083      0  .0021      0
O1    .2674  .4901  .4824       .0165  .0121  .0132  .0260 -.0023  .0100 -.0061
O2    .1793  .4750  .2897       .0163  .0172  .0175  .0172  .0091  .0103  .0055
O3    .6943 -.0130  .2980       .0148  .0132  .0096  .0148  .0010  .0001 -.0002
O4    .4421    .75  .4248       .0124  .0105   .014   .012      0  .0043      0
O5    .4496    .25  .4128       .0133   .016  .0097   .012      0  .0043      0
O6    .4188    .25  .2601       .0126   .014   .012   .017      0  .0112      0
O7   -.0166    .25  .3967       .0152   .013   .016   .012      0  .0007      0
O8   -.0435    .75  .3114       .0290   .026   .035   .036      0   .022      0
O9    .8723    .75  .4386       .0225   .026   .030   .011      0  .0074      0
OH10  .5580    .25  .1624       .0104  .0107  .0083   .011      0  .0039      0
O11   .4037    .75  .2484       .0117  .0090   .014   .013      0  .0055      0
O12   .5391    .75  .1474       .0112  .0105  .0078   .017      0  .0074      0
O13   .2685  .4907  .1104       .0157  .0075  .0119  .0215 -.0007  .0007  .0015
O14   .7942  .5243  .1321       .0200  .0217  .0123   .036  .0045  .0216  .0013
O15   .5496  .8177  .0033  .50  .0217   .022   .026   .015   .004   .007   .001
O16   .0613    .25 -.0229       .0419   .053   .055   .006      0   .003      0
O17   .0233    .25  .1164       .0294   .016   .046   .033      0   .018      0
H1     .434    .75   .325        .004
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_04
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020004
8.8996 5.6759 17.5154 90 116.221 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73123    .25 .41010 .942  .0219  .0277  .0207  .0174      0  .0102      0
CeA1 .73123    .25 .41010 .058  .0219  .0277  .0207  .0174      0  .0102      0
CeA2 .89131    .25 .24962 .973 .01652  .0131  .0222  .0119      0 .00335      0
CaA2 .89131    .25 .24962 .027 .01652  .0131  .0222  .0119      0 .00335      0
CeA3 .73919    .25 .00967 .945  .0312  .0213  .0596  .0092      0 .00362      0
CaA3 .73919    .25 .00967 .055  .0312  .0213  .0596  .0092      0 .00362      0
CeA4 .07848    .75 .16564 .945 .01576  .0120  .0221  .0113      0 .00343      0
CaA4 .07848    .75 .16564 .055 .01576  .0120  .0221  .0113      0 .00343      0
AlM1     .5     .5     .5 .993  .0120  .0100  .0132  .0121 -.0003  .0044 -.0006
FeM1     .5     .5     .5 .007  .0120  .0100  .0132  .0121 -.0003  .0044 -.0006
AlM2 .48117  .0005 .20518 .968  .0115  .0092  .0116  .0132 -.0006  .0043 -.0009
FeM2 .48117  .0005 .20518 .032  .0115  .0092  .0116  .0132 -.0006  .0043 -.0009
FeM3 .19571    .75 .37678 .732  .0188  .0177  .0168  .0237      0  .0107      0
AlM3 .19571    .75 .37678 .268  .0188  .0177  .0168  .0237      0  .0107      0
Si1   .1618    .25 .47706       .0129  .0122  .0139  .0109      0  .0035      0
Si2   .8058    .75 .33585       .0114  .0099  .0115  .0136      0  .0057      0
Si3   .3047    .25 .31268       .0100  .0076  .0133  .0099      0  .0048      0
Si4   .6702    .75 .10335       .0121  .0101  .0158  .0120      0  .0062      0
Si5   .1553    .25 .07728       .0102  .0072  .0109  .0106      0  .0024      0
O1    .2679  .4882  .4819       .0198  .0157  .0168   .030 -.0022  .0124 -.0075
O2    .1794  .4776  .2897       .0188  .0172   .024  .0177  .0043  .0103 -.0006
O3    .6941  .9870  .2974       .0162  .0123  .0097  .0203 -.0009  .0014 -.0011
O4    .4411    .75  .4247       .0155   .015   .016   .012      0   .003      0
O5    .4506    .25  .4132       .0163   .020   .019   .012      0   .009      0
O6    .4188    .25  .2599       .0139   .012   .016   .017      0   .009      0
O7   -.0182    .25  .3997       .0173   .006   .004   .022      0  -.012      0
O8   -.0426    .75  .3124       .0336   .031   .034   .049      0   .030      0
O9    .8728    .75  .4391       .0265   .026   .044   .009      0   .007      0
OH10  .5571    .25  .1626       .0126   .014   .007   .015      0   .005      0
O11   .4043    .75  .2490       .0131   .013   .011   .014      0   .004      0
O12   .5392    .75  .1478       .0125   .011   .013   .015      0   .007      0
O13   .2698  .4894  .1113       .0163  .0122  .0085   .022 -.0028  .0024  .0000
O14   .7944 -.0248  .1322       .0200   .022   .014   .031 -.0025  .0185 -.0013
O15   .5537  .6795  .0037  .50   .022   .020   .033   .010  -.004   .005  -.004
O16   .0593    .25 -.0231        .047   .059   .056   .008      0   .000      0
O17   .0244    .25  .1174       .0314   .019   .053   .027      0   .015      0
H1     .479    .75   .338         .05
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: HU_01
Locality: Hundholmen pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020005
8.8950 5.6827 17.5044 90 116.240 90 P2_1/m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1  .7329    .25 .41004 .964  .0180  .0245  .0144  .0186      0  .0127      0
CeA1  .7329    .25 .41004 .036  .0180  .0245  .0144  .0186      0  .0127      0
CeA2 .89190    .25 .24953 .974 .01674  .0137  .0213  .0134      0 .00431      0
CaA2 .89190    .25 .24953 .026 .01674  .0137  .0213  .0134      0 .00431      0
CeA3 .74007    .25 .00964 .952  .0322  .0234  .0573  .0120      0  .0044      0
CaA3 .74007    .25 .00964 .048  .0322  .0234  .0573  .0120      0  .0044      0
CeA4 .07839    .75 .16573 .946 .01624  .0133  .0209  .0129      0  .0044      0
CaA4 .07839    .75 .16573 .054 .01624  .0133  .0209  .0129      0  .0044      0
AlM1     .5     .5     .5 .952  .0140  .0145  .0122  .0170  .0037  .0084  .0007
FeM1     .5     .5     .5 .048  .0140  .0145  .0122  .0170  .0037  .0084  .0007
AlM2  .4812 -.0005 .20501 .970  .0116  .0095  .0096  .0149  .0002  .0045 -.0001
FeM2  .4812 -.0005 .20501 .030  .0116  .0095  .0096  .0149  .0002  .0045 -.0001
FeM3 .19448    .75 .37652 .742  .0162  .0147  .0141  .0170      0  .0045      0
AlM3 .19448    .75 .37652 .258  .0162  .0147  .0141  .0170      0  .0045      0
Si1   .1620    .25 .47756       .0118  .0108  .0116  .0129      0  .0051      0
Si2   .8051    .75 .33553       .0112  .0107  .0090  .0156      0  .0074      0
Si3   .3051    .25 .31258       .0097  .0068  .0098  .0140      0  .0059      0
Si4   .6702    .75 .10310       .0124  .0101  .0155  .0131      0  .0064      0
Si5   .1549    .25 .07757       .0109  .0100  .0080  .0118      0  .0023      0
O1    .2673  .4902  .4823       .0168   .016   .011   .026  .0007  .0115 -.0013
O2    .1801  .4756  .2893       .0156   .018   .016   .017  .0067  .0106  .0035
O3    .6941 -.0125  .2983       .0161   .016   .009   .021  .0004  .0056  .0004
O4    .4408    .75  .4253       .0137   .007   .014   .019      0   .004      0
O5    .4487    .25  .4126       .0116   .011   .009   .015      0   .006      0
O6    .4181    .25  .2591       .0091   .008   .002   .022      0   .011      0
O7   -.0150    .25  .3976       .0157   .010   .011   .018      0  -.001      0
O8   -.0422    .75  .3117       .0321   .035   .031   .042      0   .027      0
O9    .8726    .75  .4384       .0258   .027   .034   .018      0   .011      0
OH10  .5572    .25  .1626       .0108   .010   .007   .014      0   .003      0
OH11  .4035    .75  .2499       .0122   .005   .009   .019      0   .002      0
O12   .5414    .75  .1485       .0138   .011   .014   .019      0   .008      0
O13   .2678  .4896  .1102       .0156   .011   .006   .025  .0004  .0033  .0011
O14   .7934  .5254  .1316       .0211   .020   .014   .034   .004   .017   .001
O15   .5499  .8190  .0043  .50   .025   .013   .037   .020   .004   .005   .005
O16   .0641    .25 -.0223        .041   .054   .044   .015      0   .006      0
O17   .0219    .25  .1169       .0343   .017   .059   .039      0   .024      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020006
8.9039 5.6785 17.5039 90 116.301 90 P2_1/m
atom      x      y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73253    .25  .41004 .971  .0167  .0195  .0169  .0151      0  .0089      0
CeA1 .73253    .25  .41004 .029  .0167  .0195  .0169  .0151      0  .0089      0
CeA2 .89172    .25 .249439 .973 .01466 .01140 .01948 .01022      0 .00220      0
CaA2 .89172    .25 .249439 .027 .01466 .01140 .01948 .01022      0 .00220      0
CeA3 .73964    .25  .00971 .950 .02963 .01906  .0565 .00847      0 .00172      0
CaA3 .73964    .25  .00971 .050 .02963 .01906  .0565 .00847      0 .00172      0
CeA4 .07827    .75  .16571 .943 .01393 .01024 .01890 .01011      0 .00219      0
CaA4 .07827    .75  .16571 .057 .01393 .01024 .01890 .01011      0 .00219      0
AlM1     .5     .5      .5 .993  .0101  .0081  .0108  .0108  .0009  .0036 -.0001
FeM1     .5     .5      .5 .007  .0101  .0081  .0108  .0108  .0009  .0036 -.0001
AlM2 .48138 .00031  .20506 .973  .0103  .0070  .0097  .0120  .0004  .0024 -.0002
FeM2 .48138 .00031  .20506 .027  .0103  .0070  .0097  .0120  .0004  .0024 -.0002
FeM3 .19564    .75  .37645 .687  .0140  .0116  .0137  .0136      0  .0029      0
AlM3 .19564    .75  .37645 .313  .0140  .0116  .0137  .0136      0  .0029      0
Si1  .16227    .25  .47723       .0103  .0080  .0109  .0101      0  .0024      0
Si2  .80569    .75  .33580       .0094  .0089  .0095  .0095      0  .0038      0
Si3  .30475    .25  .31276       .0090  .0057  .0122  .0087      0  .0028      0
Si4  .67013    .75  .10315       .0113  .0080  .0145  .0109      0  .0039      0
Si5  .15495    .25  .07761       .0089  .0066  .0086  .0094      0  .0016      0
O1    .2675  .4898  .48169       .0158  .0106  .0133  .0240 -.0022  .0080 -.0044
O2    .1807  .4757  .28945       .0164  .0151  .0191  .0162  .0079  .0082  .0043
O3    .6949  .9867  .29765       .0139  .0109  .0108  .0147  .0001  .0008 -.0024
O4    .4424    .75   .4252       .0118  .0072  .0129  .0121      0  .0013      0
O5    .4507    .25   .4130       .0110  .0139  .0094  .0092      0  .0045      0
O6    .4200    .25   .2595       .0104  .0082  .0097  .0137      0  .0051      0
O7   -.0159    .25   .3972       .0150  .0088  .0132  .0159      0 -.0011      0
O8   -.0425    .75   .3114       .0290   .027   .034   .037      0   .024      0
O9    .8723    .75   .4383       .0221  .0229   .031   .012      0  .0078      0
OH10  .5578    .25   .1620       .0100  .0092  .0081  .0123      0  .0045      0
O11   .4039    .75   .2486       .0119  .0092  .0088  .0163      0  .0044      0
O12   .5381    .75   .1478       .0095  .0081  .0094  .0133      0  .0068      0
O13   .2690  .4903  .11070       .0150  .0094  .0106  .0196 -.0025  .0016 -.0005
O14   .7942 -.0242  .13243       .0195  .0211  .0123  .0328 -.0015  .0191 -.0028
O15   .5513  .6812   .0034  .50  .0215   .029   .023   .013  -.006   .009  -.003
O16   .0619    .25  -.0232       .0430   .050   .056   .009      0   .000      0
O17   .0226    .25   .1170       .0293  .0150   .046   .033      0  .0165      0
H1     .440    .75    .322        .020
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02-350, annealed for 48 hours at 350 C
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020007
8.9044 5.6650 17.5261 90 116.399 90 P2_1/m
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .73097     .25 .40952 .969  .0167  .0175  .0177  .0162      0  .0088      0
CeA1 .73097     .25 .40952 .031  .0167  .0175  .0177  .0162      0  .0088      0
CeA2 .89003     .25 .24934 .967 .01453 .00975 .01958 .01051      0 .00112      0
CaA2 .89003     .25 .24934 .033 .01453 .00975 .01958 .01051      0 .00112      0
CeA3 .73897     .25 .01002 .949 .02951 .01816  .0559 .00866      0 .00077      0
CaA3 .73897     .25 .01002 .051 .02951 .01816  .0559 .00866      0 .00077      0
CeA4 .08032     .75 .16496 .938 .01478 .01058 .01930 .01034      0 .00093      0
CaA4 .08032     .75 .16496 .062 .01478 .01058 .01930 .01034      0 .00093      0
AlM1     .5      .5     .5 .983  .0103  .0076  .0105  .0109  .0003  .0023  .0006
FeM1     .5      .5     .5 .017  .0103  .0076  .0105  .0109  .0003  .0023  .0006
AlM2 .48102 -.00068 .20474 .983  .0099  .0060  .0090  .0119  .0004  .0014 -.0005
FeM2 .48102 -.00068 .20474 .017  .0099  .0060  .0090  .0119  .0004  .0014 -.0005
FeM3 .19811     .75 .37572 .676  .0136  .0094  .0140  .0131      0  .0011      0
AlM3 .19811     .75 .37572 .324  .0136  .0094  .0140  .0131      0  .0011      0
Si1  .16199     .25 .47648       .0099  .0069  .0104  .0094      0  .0010      0
Si2  .80607     .75 .33617       .0092  .0067  .0095  .0100      0  .0023      0
Si3  .30586     .25 .31298       .0090  .0054  .0120  .0081      0  .0016      0
Si4  .67081     .75 .10328       .0114  .0086  .0140  .0111      0  .0039      0
Si5  .15510     .25 .07744       .0092  .0049  .0100  .0092      0  .0000      0
O1    .2663   .4910 .48012       .0156  .0080  .0138  .0237 -.0016  .0058 -.0050
O2    .1817   .4776 .29112       .0151  .0110  .0189  .0150  .0077  .0054  .0026
O3    .6949   .9875 .29716       .0137  .0072  .0106  .0156  .0002 -.0020 -.0012
O4    .4428     .75  .4252       .0119  .0064  .0134  .0132      0  .0019      0
O5    .4517     .25  .4134       .0113  .0108  .0122  .0085      0  .0020      0
O6    .4181     .25  .2596       .0110  .0088  .0107  .0159      0  .0078      0
O7   -.0177     .25  .3970       .0148  .0063  .0166  .0124      0 -.0040      0
O8   -.0392     .75  .3138       .0275   .021   .031   .042      0   .024      0
O9    .8678     .75  .4385       .0253   .028   .034  .0118      0  .0068      0
OH10  .5574     .25  .1626       .0108  .0082  .0106  .0113      0  .0023      0
O11   .4038     .75  .2477       .0126  .0088  .0095  .0185      0  .0052      0
O12   .5402     .75  .1472       .0105  .0060  .0108  .0133      0  .0031      0
O13   .2692   .4911 .11027       .0150  .0067  .0104  .0211 -.0013  .0000 -.0016
O14   .7954  -.0246  .1328       .0188  .0202  .0117  .0318 -.0045  .0181 -.0021
O15   .5535   .6789  .0044  .50  .0197   .020   .028   .007  -.005   .002 -.0013
O16   .0615     .25 -.0232       .0481   .055   .063   .007      0  -.004      0
O17   .0246     .25  .1175       .0293   .013   .048   .031      0   .014      0
H1     .414     .75   .313         .10
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02-450, annealed for 48 hours at 450 C
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020008
8.9002 5.6304 17.7324 90 116.710 90 P2_1/m
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .72680     .25 .40752 .965  .0166  .0176  .0197  .0141      0  .0084      0
CeA1 .72680     .25 .40752 .035  .0166  .0176  .0197  .0141      0  .0084      0
CeA2 .88481     .25 .24952 .971 .01379 .01134 .01718 .00978      0 .00201      0
CaA2 .88481     .25 .24952 .029 .01379 .01134 .01718 .00978      0 .00201      0
CeA3 .73652     .25 .01121 .952 .02915  .0213  .0535 .00813      0 .00254      0
CaA3 .73652     .25 .01121 .048 .02915  .0213  .0535 .00813      0 .00254      0
CeA4 .09081     .75 .16334 .944 .01527 .01433 .02044 .00869      0 .00310      0
CaA4 .09081     .75 .16334 .056 .01527 .01433 .02044 .00869      0 .00310      0
AlM1     .5      .5     .5 .968  .0098  .0079  .0089  .0108  .0004  .0027  .0010
FeM1     .5      .5     .5 .032  .0098  .0079  .0089  .0108  .0004  .0027  .0010
AlM2 .47938 -.00399 .20399 .963  .0103  .0091  .0093  .0111  .0006  .0034 -.0001
FeM2 .47938 -.00399 .20399 .037  .0103  .0091  .0093  .0111  .0006  .0034 -.0001
FeM3 .20443     .75 .37397 .665  .0111  .0090  .0113  .0109      0  .0025      0
AlM3 .20443     .75 .37397 .335  .0111  .0090  .0113  .0109      0  .0025      0
Si1  .16127     .25 .47477       .0082  .0067  .0082  .0074      0  .0011      0
Si2  .80490     .75 .33735       .0087  .0085  .0080  .0093      0  .0036      0
Si3  .30815     .25 .31380       .0080  .0064  .0096  .0071      0  .0022      0
Si4  .67490     .75 .10428       .0107  .0093  .0129  .0101      0  .0045      0
Si5  .15468     .25 .07526       .0090  .0063  .0092  .0090      0  .0011      0
O1    .2645   .4944 .47594       .0123  .0089  .0103  .0168 -.0012  .0050 -.0012
O2    .1839   .4805 .29463       .0120  .0122  .0113  .0112  .0013  .0039 -.0010
O3    .6961   .9893 .29638       .0120  .0092  .0077  .0145 -.0010  .0014  .0002
O4    .4436     .75  .4267       .0102  .0106  .0092  .0106      0  .0047      0
O5    .4546     .25  .4138       .0095  .0071  .0099  .0092      0  .0018      0
O6    .4159     .25  .2592       .0095  .0119  .0060  .0120      0  .0067      0
O7   -.0206     .25  .3979       .0139  .0072  .0159  .0127      0 -.0008      0
O8   -.0307     .75  .3229       .0197   .015   .025   .020      0  .0094      0
O9    .8570     .75  .4377       .0223   .026   .031   .012      0  .0109      0
OH10  .5569     .25  .1626       .0090  .0104  .0094  .0069      0  .0035      0
OH11  .4001     .75  .2435       .0114  .0096  .0113  .0123      0  .0040      0
O12   .5420     .75  .1464       .0108  .0074  .0093  .0150      0  .0042      0
O13   .2695   .4910 .10708       .0155  .0074  .0081  .0225  .0003 -.0007  .0003
O14   .7990  -.0222  .1345       .0206  .0239  .0125  .0346 -.0028  .0212 -.0013
O15   .5597   .6749  .0057  .50  .0180   .019   .022   .011 -.0023   .005  -.002
O16   .0590     .25 -.0244       .0497   .051   .067   .012      0  -.003      0
O17   .0277     .25  .1166       .0327   .020   .049   .036      0   .019      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02-550, annealed for 48 hours at 550 C
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020009
8.9031 5.62900 17.7392 90 116.752 90 P2_1/m
atom      x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .72644     .25  .40741 .969  .0160  .0172  .0183  .0149      0  .0093      0
CeA1 .72644     .25  .40741 .031  .0160  .0172  .0183  .0149      0  .0093      0
CeA2 .88418     .25 .249720 .966 .01323 .01174 .01664 .00928      0 .00292      0
CaA2 .88418     .25 .249720 .034 .01323 .01174 .01664 .00928      0 .00292      0
CeA3 .73559     .25  .01139 .952 .02843 .02089  .0529 .00778      0 .00315      0
CaA3 .73559     .25  .01139 .048 .02843 .02089  .0529 .00778      0 .00315      0
CeA4 .09199     .75 .163305 .941 .01477 .01393 .02081 .00817      0 .00373      0
CaA4 .09199     .75 .163305 .059 .01477 .01393 .02081 .00817      0 .00373      0
AlM1     .5      .5      .5 .965  .0086  .0075  .0083  .0090  .0006  .0027  .0005
FeM1     .5      .5      .5 .035  .0086  .0075  .0083  .0090  .0006  .0027  .0005
AlM2 .47891 -.00422  .20385 .968  .0092  .0079  .0083  .0105  .0008  .0034 -.0001
FeM2 .47891 -.00422  .20385 .032  .0092  .0079  .0083  .0105  .0008  .0034 -.0001
FeM3 .20467     .75  .37367 .668  .0101  .0082  .0098  .0112      0  .0035      0
AlM3 .20467     .75  .37367 .332  .0101  .0082  .0098  .0112      0  .0035      0
Si1  .16126     .25  .47463       .0075  .0069  .0074  .0077      0  .0028      0
Si2  .80479     .75  .33773       .0080  .0078  .0075  .0091      0  .0040      0
Si3  .30797     .25  .31365       .0073  .0059  .0095  .0068      0  .0031      0
Si4  .67562     .75  .10478       .0105  .0088  .0129  .0106      0  .0051      0
Si5  .15427     .25  .07459       .0086  .0065  .0085  .0090      0  .0020      0
O1    .2639   .4941  .47565       .0114  .0092  .0087  .0154 -.0011  .0046 -.0028
O2    .1833   .4806  .29446       .0118  .0112  .0132  .0112  .0029  .0054  .0009
O3    .6962   .9888  .29625       .0120  .0098  .0089  .0132 -.0001  .0017  .0002
O4    .4440     .75   .4269       .0084  .0063  .0102  .0073      0  .0019      0
O5    .4549     .25   .4139       .0090  .0083  .0087  .0085      0  .0026      0
O6    .4147     .25   .2586       .0093  .0096  .0078  .0127      0  .0070      0
O7   -.0213     .25   .3976       .0123  .0068  .0127  .0116      0 -.0010      0
O8   -.0304     .75   .3233       .0189  .0176  .0235  .0207      0  .0130      0
O9    .8569     .75   .4381       .0215   .029  .0276  .0128      0  .0132      0
OH10  .5575     .25  .16298       .0077  .0074  .0080  .0081      0  .0037      0
OH11  .3988     .75   .2424       .0118  .0113  .0109  .0147      0  .0073      0
O12   .5428     .75   .1466       .0092  .0072  .0067  .0150      0  .0062      0
O13   .2690   .4902  .10657       .0146  .0072  .0100  .0224 -.0011  .0028  .0006
O14   .7997  -.0224  .13532       .0194  .0229  .0104  .0356 -.0040  .0228 -.0031
O15   .5587   .6729   .0059  .50  .0173   .019   .021   .013 -.0029  .0072 -.0003
O16   .0599     .25  -.0247       .0472   .046   .069  .0066      0 -.0054      0
O17   .0277     .25   .1165       .0328   .020   .050   .037      0  .0200      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02-650, annealed for 48 hours at 650 C
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020010
8.8979 5.6235 17.7310 90 116.815 90 P2_1/m
atom      x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .72593     .25  .40731 .969  .0154  .0156  .0187  .0120      0  .0062      0
CeA1 .72593     .25  .40731 .031  .0154  .0156  .0187  .0120      0  .0062      0
CeA2 .88360     .25 .249966 .965 .01345 .01136 .01746 .00745      0 .00064      0
CaA2 .88360     .25 .249966 .035 .01345 .01136 .01746 .00745      0 .00064      0
CeA3 .73457     .25  .01157 .959 .02828 .01963  .0536 .00613      0 .00097      0
CaA3 .73457     .25  .01157 .041 .02828 .01963  .0536 .00613      0 .00097      0
CeA4 .09327     .75  .16328 .947 .01517 .01291  .0229 .00630      0 .00133      0
CaA4 .09327     .75  .16328 .053 .01517 .01291  .0229 .00630      0 .00133      0
AlM1     .5      .5      .5 .957  .0084  .0068  .0092  .0070 -.0002  .0012  .0005
FeM1     .5      .5      .5 .043  .0084  .0068  .0092  .0070 -.0002  .0012  .0005
AlM2 .47861 -.00454  .20368 .977  .0085  .0064  .0082  .0083  .0002  .0012 -.0006
FeM2 .47861 -.00454  .20368 .023  .0085  .0064  .0082  .0083  .0002  .0012 -.0006
FeM3 .20510     .75  .37351 .677  .0099  .0080  .0102  .0096      0  .0022      0
AlM3 .20510     .75  .37351 .323  .0099  .0080  .0102  .0096      0  .0022      0
Si1  .16117     .25  .47445       .0076  .0055  .0089  .0060      0  .0005      0
Si2  .80488     .75  .33795       .0081  .0070  .0086  .0070      0  .0018      0
Si3  .30771     .25  .31347       .0067  .0052  .0078  .0050      0  .0005      0
Si4  .67627     .75  .10507       .0101  .0077  .0142  .0074      0  .0026      0
Si5  .15405     .25  .07393       .0083  .0061  .0076  .0083      0  .0006      0
O1    .2637   .4947  .47528       .0107  .0071  .0096  .0146 -.0006  .0043 -.0004
O2    .1825   .4809  .29410       .0112  .0106  .0120  .0087  .0024  .0024 -.0008
O3    .6956   .9884  .29618       .0117  .0081  .0099  .0118 -.0001 -.0002 -.0017
O4    .4442     .75   .4272       .0079  .0056  .0111  .0056      0  .0014      0
O5    .4544     .25   .4132       .0089  .0084  .0084  .0070      0  .0010      0
O6    .4146     .25   .2587       .0089  .0086  .0091  .0104      0  .0056      0
O7   -.0222     .25   .3970       .0129  .0061  .0166  .0082      0 -.0037      0
O8   -.0305     .75   .3235       .0166  .0111   .022   .017      0  .0067      0
O9    .8553     .75   .4377       .0210   .025   .030  .0111      0  .0105      0
OH10  .5577     .25   .1631       .0088  .0059  .0117  .0073      0  .0016      0
OH11  .3975     .75   .2418       .0120  .0123  .0106  .0157      0  .0085      0
O12   .5433     .75   .1464       .0087  .0082  .0071  .0101      0  .0035      0
O13   .2684   .4907  .10568       .0144  .0073  .0076  .0204 -.0007 -.0007  .0002
O14   .7997  -.0221   .1355       .0195  .0228  .0096  .0348 -.0032  .0207 -.0023
O15   .5610   .6712   .0070  .50  .0164   .019   .020   .008 -.0034   .004 -.0034
O16   .0598     .25  -.0254       .0477   .050   .063   .010      0  -.004      0
O17   .0277     .25   .1153       .0336   .018   .056   .030      0   .014      0
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Perboeite-(Ce)
 
Bonazzi P, Lepore G O, Bindi L, Chopin C, Husdal T A, Medenbach O
 
American Mineralogist 99 (2014) 157-169
Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite
polysomatic series: Chemistry, structure, dehydrogenation, and clue for a
sodian epidote end-member
Sample ID: ST2_02-750, annealed for 48 hours at 750 C
Locality: Stetind pegmatite, Tysfjord granite, Norway
_database_code_amcsd 0020011
8.8936 5.6189 17.7550 90 116.952 90 P2_1/m
atom      x       y       z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .72579     .25  .40754 .983  .0131  .0120  .0168  .0108      0  .0055      0
CeA1 .72579     .25  .40754 .017  .0131  .0120  .0168  .0108      0  .0055      0
CeA2 .88310     .25 .250255 .967 .01253 .01032 .01646 .00724      0 .00085      0
CaA2 .88310     .25 .250255 .033 .01253 .01032 .01646 .00724      0 .00085      0
CeA3 .73345     .25  .01178 .971 .02701 .01774  .0518 .00637      0 .00101      0
CaA3 .73345     .25  .01178 .029 .02701 .01774  .0518 .00637      0 .00101      0
CeA4 .09424     .75  .16332 .954 .01457 .01098 .02324 .00655      0 .00140      0
CaA4 .09424     .75  .16332 .046 .01457 .01098 .02324 .00655      0 .00140      0
AlM1     .5      .5      .5 .947  .0076  .0049  .0081  .0066 -.0002 -.0002  .0002
FeM1     .5      .5      .5 .053  .0076  .0049  .0081  .0066 -.0002 -.0002  .0002
AlM2 .47817 -.00480  .20360 .963  .0078  .0056  .0076  .0080  .0004  .0012 -.0003
FeM2 .47817 -.00480  .20360 .037  .0078  .0056  .0076  .0080  .0004  .0012 -.0003
FeM3 .20512     .75  .37322 .641  .0083  .0056  .0087  .0092      0  .0021      0
AlM3 .20512     .75  .37322 .359  .0083  .0056  .0087  .0092      0  .0021      0
Si1  .16111     .25  .47426       .0066  .0051  .0068  .0058      0  .0007      0
Si2  .80462     .75  .33805       .0070  .0063  .0072  .0068      0  .0024      0
Si3  .30750     .25  .31344       .0061  .0037  .0086  .0052      0  .0013      0
Si4  .67717     .75  .10549       .0097  .0068  .0129  .0095      0  .0037      0
Si5  .15369     .25  .07333       .0076  .0043  .0071  .0084      0  .0003      0
O1    .2634   .4939  .47511       .0092  .0047  .0084  .0136 -.0010  .0034 -.0008
O2    .1823   .4811  .29390       .0091  .0087  .0082  .0099  .0024  .0038  .0016
O3    .6957   .9889  .29645       .0102  .0090  .0062  .0121  .0021  .0018 -.0002
O4    .4438     .75   .4272       .0070  .0033  .0085  .0070      0  .0004      0
O5    .4539     .25   .4134       .0068  .0051  .0056  .0058      0 -.0010      0
O6    .4135     .25   .2581       .0091  .0106  .0076  .0101      0  .0056      0
O7   -.0218     .25   .3974       .0109  .0059  .0110  .0119      0  .0005      0
O8   -.0304     .75   .3238       .0154  .0108  .0226  .0158      0  .0086      0
O9    .8555     .75   .4381       .0184   .020   .027  .0092      0  .0081      0
OH10  .5580     .25   .1633       .0079  .0082  .0072  .0093      0  .0047      0
OH11  .3967     .75   .2413       .0096  .0074  .0073  .0132      0  .0038      0
O12   .5432     .75   .1465       .0087  .0071  .0068  .0120      0  .0042      0
O13   .2688   .4906  .10508       .0146  .0066  .0082  .0219 -.0008  .0001  .0005
O14   .8013  -.0227  .13623       .0181  .0211  .0099  .0320 -.0028  .0196 -.0026
O15   .5618   .6710   .0072  .50  .0159   .017   .017   .011  -.001   .004 -.0026
O16   .0607     .25  -.0265       .0469   .048   .070   .009      0   .001      0
O17   .0273     .25   .1145       .0366   .016   .066   .034      0   .017      0
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Tazieffite
 
Zelenski M, Garavelli A, Pinto D, Vurro F, Moelo Y, Bindi L, Makovicky E, Bonaccorsi E
Download am/vol94/AM94_1312.pdf
American Mineralogist 94 (2009) 1312-1324
Tazieffite, Pb20Cd2(As,Bi)22S50Cl10, a new chloro-sulfosalt from Mutnovsky
volcano, Kamchatka Peninsula, Russian Federation
Locality: Mutnovsky volcano, Kamchatka Peninsula, Russian Federation
_database_code_amcsd 0004974
8.3520 45.592 27.261 90 98.84 90 C2/c
atom        x       y      z occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Pb1    .38646  .12162 .51217     .05115 .04749  .0488  .0572  .00069  .0083  .00023
Pb2     .8868  .12146 .51230     .04908 .04614 .04637  .0547  .00092  .0075  .00030
Pb3    .31117  .07257 .37217     .05053 .04770 .04788 .05684  .00032  .0106  -.0005
Pb4    .81076  .07236 .37239     .05117 .04874  .0485 .05700   .0003  .0106 -.00012
Pb5    .31093  .17319 .37403     .05006 .04664  .0469 .05657 -.00001  .0077  -.0005
Pb6    .80952  .17349 .37463     .05353 .05015 .05042 .05978  .00018  .0077 -.00028
Pb7     .7462  .98784 .74961     .05196 .04893 .04915 .05766  .00035  .0078 -.00007
Pb8    .74433  .23103 .24995     .06360 .05955  .0612  .0695  -.0003  .0080 -.00015
Pb9    .96003  .08875 .66171 .94 .05919 .05525 .05671  .0655  .00076  .0089  .00070
N9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
H9     .96003  .08875 .66171 .06 .05919 .05525 .05671  .0655  .00076  .0089  .00070
Pb10   .45838  .08941 .66388 .94 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
N10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
H10    .45838  .08941 .66388 .06 .06112 .05731  .0585  .0671  .00025  .0082 -.00022
Cd1a        0  .12313    .25  .5 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Pb1b        0  .12313    .25  .2 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Sn1c        0  .12313    .25  .3 .05858  .0531  .0572  .0654  .00000  .0091  .00000
Cd2a       .5  .12322    .25  .5 .05747  .0546 .05526  .0627  .00000  .0094  .00000
Pb2b       .5  .12322    .25  .3 .05747  .0546 .05526  .0627  .00000  .0094  .00000
Sn2c       .5  .12322    .25  .2 .05747  .0546 .05526  .0627  .00000  .0094  .00000
As11   .24526  .15307 .75122 .67 .05100  .0492 .04725 .05673  .00115  .0087  .00108
Bi11    .2413  .17680 .74583 .33 .05100  .0492 .04725 .05673  .00115  .0087  .00108
As1b   .56454  .25498 .37431 .29 .05216  .0487 .04884 .05880  -.0001  .0077  .00018
Bi1a   .56454  .25498 .37431 .71 .05216  .0487 .04884 .05880  -.0001  .0077  .00018
As1    .43461  .24664 .62661     .06996  .0662  .0634  .0797   .0010  .0090   .0016
Bi2a   .12308  .20938 .49898 .69 .05872 .05526 .05570 .06461  .00035  .0073  .00089
As2b   .12308  .20938 .49898 .31 .05872 .05526 .05570 .06461  .00035  .0073  .00089
As2a    .6236  .20835 .49001 .63 .06399
Bi2b    .6172  .20835 .49773 .37 .06399
As3a    .1905   .1660 .61939 .79 .05898
Bi3b    .1912  .17298 .62680 .21 .05898
Bi4a   .67961  .16706 .61994 .62 .05053 .04805 .04757 .05617  .00168 .00861 -.00083
As4b   .67961  .16706 .61994 .38 .05053 .04805 .04757 .05617  .00168 .00861 -.00083
As5a   .12372   .0450 .50404 .69 .06210
Bi5b    .1210   .0398 .49889 .31 .06210
Bi6a   .62272  .04079 .49918 .57 .06062 .05862 .05731 .06686   .0020  .0126 -.00092
As6b   .62272  .04079 .49918 .43 .06062 .05862 .05731 .06686   .0020  .0126 -.00092
As7a    .9346  .00891 .62961 .83  .0601
Bi7b    .9357  .00445 .61602 .17  .0601
Bi8a   .43260  .00658 .62309 .61 .06155 .05838 .05853 .06794  .00008  .0103 -.00051
As8b   .43260  .00658 .62309 .39 .06155 .05838 .05853 .06794  .00008  .0103 -.00051
S1      .1574  .11787 .59346      .0732  .0707  .0753  .0750  -.0063  .0153  -.0038
S2      .6610  .11471 .58893      .0748  .0697  .0750  .0800  -.0046  .0125  -.0048
S3      .0888  .08674 .45222      .0666  .0608  .0634  .0721  -.0076 -.0011  -.0039
S4      .5907  .08786  .4529      .0630  .0612  .0582  .0672  -.0098  .0025  -.0035
S5      .0972   .1612  .4522      .0642  .0577  .0595  .0753   .0086  .0096   .0029
S6      .5963  .16110 .45543      .0661  .0569  .0632  .0775   .0056  .0082   .0041
S7      .4607   .2919 .67188      .0534  .0480  .0508  .0577  -.0092 -.0040   .0004
S8      .5405   .2078 .32414      .0527  .0461  .0514  .0574  -.0088 -.0018  -.0018
S9      .0355  .12354 .34308  .4  .0490  .0481  .0454  .0563  -.0023  .0164   .0000
Cl9     .0355  .12354 .34308  .6  .0490  .0481  .0454  .0563  -.0023  .0164   .0000
S10     .5304  .12330 .34359  .4  .0404  .0406  .0354  .0469  -.0017  .0125  -.0025
Cl10    .5304  .12330 .34359  .6  .0404  .0406  .0354  .0469  -.0017  .0125  -.0025
S11     .0391  .03780 .32592      .0518  .0442  .0459  .0594   .0037 -.0109  -.0018
S12     .4645   .9617 .67697      .0572  .0474  .0520  .0655   .0063 -.0129   .0003
S13    .75859  .08595 .24962  .4  .0627  .0635  .0512  .0691   .0010 -.0031   .0003
Cl13   .75859  .08595 .24962  .6  .0627  .0635  .0512  .0691   .0010 -.0031   .0003
S14    .75627  .16051 .25043  .4  .0640  .0625  .0526  .0726   .0030 -.0030  -.0018
Cl14   .75627  .16051 .25043  .6  .0640  .0625  .0526  .0726   .0030 -.0030  -.0018
S15     .3891   .0611 .55286      .0570  .0533  .0561  .0612   .0012  .0080   .0041
S16    .92039   .0622  .5552      .0588  .0578  .0547  .0641   .0020  .0097   .0031
S17    .62375   .9795 .56392      .0496  .0455  .0516  .0541   .0026  .0156  -.0003
S18     .8454  .02004 .43555      .0642  .0654  .0611  .0711  -.0007  .0260  -.0015
S19     .7202  .03151 .66812  .7  .0552  .0594  .0506  .0565   .0001  .0118   .0034
Cl19    .7202  .03151 .66812  .3  .0552  .0594  .0506  .0565   .0001  .0118   .0034
S20    .16455   .0322  .6688      .0507  .0484  .0473  .0574   .0038  .0109   .0001
S21    .24528  .22647  .6700      .0617  .0613  .0590  .0654   .0002  .0116   .0028
S22    .67252  .22546  .6697      .0613  .0611  .0561  .0667  -.0031  .0104   .0028
S23   .383058  .22729  .4391      .0548  .0510  .0578  .0580   .0019  .0159  -.0030
S24     .8333  .22672  .4404      .0685  .0633  .0667  .0732  -.0009  .0034  -.0020
S25    .37343 .184088 .56052      .0505  .0488  .0484  .0560  -.0057  .0133  -.0043
S26    .93754   .1855 .56139      .0576  .0586  .0561  .0579  -.0007  .0080  -.0050
S27    .93119  .15955 .69259      .0690  .0683  .0659  .0773   .0018  .0258   .0030
S28    .49753   .1543 .69639      .0529  .0422  .0502  .0667  -.0001  .0097    .008
Cl29       .5  .03412    .75      .0593  .0589  .0600  .0594  .00000  .0106  .00000
Cl30        0  .22146    .75      .0672  .0625  .0619  .0770  .00000  .0102  .00000
S31    .24678  .10002 .74732  .7  .0594  .0536  .0567  .0681  -.0008  .0097   .0004
Cl31   .24678  .10002 .74732  .3  .0594  .0536  .0567  .0681  -.0008  .0097   .0004
Download AMC data (View Text File)
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Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Fantappieite
 
Camara F, Bellatreccia F, Della Ventura G, Mottana A, Bindi L,
Gunter M E, Sebastiani M
Download am/vol95/AM95_472.pdf
American Mineralogist 95 (2010) 472-480
Fantappieite, a new mineral of the cancrinite-sodalite group
with a 33-layer stacking sequence: Occurrence and crystal structure
Locality: Torre Stracciacappe, Trevignano community, Rome, Latium, Italy
_database_code_amcsd 0005034
12.8742 12.8742 87.215 90 90 120 P-3
atom       x      y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Na1A   .1579  .3008 .0127  .5 .047
Na1B   .1935  .3875 .0172 .27 .047
Ca1B   .1935  .3875 .0172 .23 .047
Na2      2/3    1/3 .0207 .41 .016
Na3A       0      0  .038 .69 .012
Ca3A       0      0  .038 .13 .012
Ca3B       0      0 .0565 .19 .012
Na4A   .5038 -.0010 .0433 .53 .017
Na4B   .5337  .0671 .0486 .34 .017
Na5A   .3722  .1848 .0727  .5 .067
Ca5B   .2909  .1454 .0781  .5 .067
Na6      2/3    1/3 .0976 .38 .016
Na7      2/3    1/3 .1643 .39 .016
Na8      2/3    1/3 .2355 .86 .036
Na9A    .449   .543 .2528 .16 .027
Na9B    .491   .509 .2552 .72 .027
Na10     1/3    2/3 .2777 .45 .052
Ca11     1/3    2/3 .2988 .53 .052
Na12   .3894  .1987 .2861 .41 .002
Na13   .3234  .1567 .2899 .34 .002
Na14     2/3    1/3 .3071 .49 .051
Na15     2/3    1/3 .3265 .49 .051
Na16   .1322  .2691 .3163 .10 .002
K16    .1322  .2691 .3163 .40 .002
Na17   .1718   .342 .3163  .5 .002
Na18       0      0 .3442 .87 .036
K18        0      0 .3442 .13 .036
Na19    .508  .0253 .3513 .82 .042
Na20     1/3    2/3 .3641 .65 .037
Na21   .2804  .1422 .3797 .91 .063
Na22    .162  .3226 .4071 .31 .061
Ca22    .162  .3226 .4071 .29 .061
Na23   .2067  .3952 .4136 .40 .061
Na24       0      0 .4325 .82 .093
Na25      .5     .5    .5 .95 .036
Na26       0      0    .5 .75 .028
Ca1      1/3    2/3 .0692     .059   .054   .054   .067   .027      0      0
Ca2    .1841  .3559 .1052 .66 .048   .047   .046   .047   .020  -.004   .001
Na2    .1841  .3559 .1052 .34 .048   .047   .046   .047   .020  -.004   .001
Ca3        0      0 .1292     .025   .024   .024   .026   .012      0      0
Ca4     .165  .3359 .1659 .38 .029   .026   .026   .034   .011   .001   .000
Na4     .165  .3359 .1659 .62 .029   .026   .026   .034   .011   .001   .000
Ca5      1/3    2/3 .2047     .003   .030   .030   .032   .015      0      0
Ca6      .16  .3086 .2256 .16 .034   .038   .038   .032   .023  -.003  -.002
Na6      .16  .3086 .2256 .84 .034   .038   .038   .032   .023  -.003  -.002
Ca7        0      0 .2637     .049   .044   .044   .057   .022      0      0
Ca8      1/3    2/3 .3867 .94 .053   .046   .046   .067   .023      0      0
Ca9      2/3    1/3 .4032     .024   .024   .024   .025   .012      0      0
Ca10   .5132  .0217   .44 .05 .022   .022   .025   .021   .012   .005  -.001
Na10   .5132  .0217   .44 .95 .022   .022   .025   .021   .012   .005  -.001
Ca11     1/3    2/3 .4607     .023   .025   .025   .019   .012      0      0
K1     .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
Na1    .4474    .55 .1377  .5 .033   .039   .037   .027   .023  -.005  -.001
K2     .2322  .1168 .1959 .54 .011   .010   .015   .007    .05  -.002  -.001
Na2    .2322  .1168 .1959 .46 .011   .010   .015   .007    .05  -.002  -.001
K3     .4373  .2182 .4705 .98 .022   .023   .023   .020   .010  -.003   .000
Na3    .4373  .2182 .4705 .02 .022   .023   .023   .020   .010  -.003   .000
AlT1   .4213  .3291 .0139     .007   .007   .007   .007   .003   .000   .000
AlT2   .2503  .0027 .0445     .021   .021   .021   .021   .010   .000   .000
AlT3     1/3  .4133 .0733     .011   .011   .010   .011   .005   .000   .000
AlT4   .4142  .0861 .1055     .009   .010   .010   .009   .005   .000   .001
AlT5   .2588  .2546 .1349     .024   .024   .024   .024   .012   .000   .001
AlT6    .415  .0774 .1664     .005   .005   .006   .004   .002  -.001   .000
AlT7   .3337  .4124 .1973     .025   .025   .025   .026   .013  -.001   .000
AlT8   .4094  .0825 .2271     .023   .022   .023   .023   .011   .000   .000
AlT9   .2529  .2509 .2584     .008   .009   .008   .008   .004   .000   .000
AlT10  .0867  .4194 .2897     .024   .023   .024   .023   .011   .001   .001
AlT11  .4205  .3328  .318     .039   .039   .039   .038   .019   .000   .000
AlT12 -.0016  .2512 .3489     .002   .021   .020   .021   .011   .000   .000
AlT13  .3288  .4134 .3781     .048   .048   .048   .048   .024   .000   .000
AlT14  .4167  .0828 .4079     .019   .019   .019   .019   .009   .000   .000
AlT15  .2536  .2556 .4382     .022   .022   .021   .021   .010   .000   .001
AlT16   .078  .4085 .4686     .014   .016   .013   .011   .006   .000   .000
SiT17  .4214  .0875 .0148     .002   .020   .019   .020   .010   .000  -.001
SiT18  .2509  .2502 .0449     .024   .024   .024   .024   .012   .000   .000
SiT19  .0785  .4103 .0739     .016   .016   .016   .016   .009   .000  -.001
SiT20  .4163  .3352 .1048     .033   .034   .035   .030   .019  -.002  -.003
SiT21  .2596  .0097 .1352     .025   .026   .025   .025   .013   .000   .000
SiT22  .4161  .3410 .1663     .013   .013   .013   .012   .007   .000   .000
SiT23  .5839  .6599 .1981     .002   .019   .020   .020   .010   .000   .001
SiT24  .4128  .3303 .2273     .018   .018   .019   .019   .009   .001   .000
SiT25 -.0020  .2499 .2583     .027   .027   .027   .027   .014   .000  -.001
SiT26  .3353  .4221 .2887     .031   .031   .032   .031   .015  -.001   .002
SiT27  .4162   .086 .3189     .051   .050   .051   .050   .025   .000   .000
SiT28  .2485  .2477 .3478     .019   .019   .019   .019   .010  -.001   .000
SiT29  .0803  .4151 .3785     .058   .058   .058   .058   .029   .000   .000
SiT30  .6691  .0777 .4073     .013   .012   .013   .013   .006   .000   .001
SiT31  .2571  .0094 .4389     .035   .035   .035   .035   .018   .000   .000
SiT32  .3316  .4118 .4681     .018   .019   .018   .018   .009  -.001   .001
SiT33  .2545  .2571 .4999     .031   .028   .031   .034   .015   .003   .001
O1     .0115  .3484 .0005     .083   .083   .083   .083   .041   .000   .000
O2     .4478   .227 .0127     .039   .039   .039   .039   .020  -.001   .000
O3     .5522  .1052 .0176     .027   .027   .027   .027   .013   .000   .000
O4     .3383  .0064 .0303     .039   .039   .039   .039   .019   .000   .000
O5     .3295  .3069 .0293     .072   .072   .072   .072   .036   .000   .000
O6     .1261  .2473 .0425     .047   .047   .047   .047   .024   .000   .000
O7     .2176  .1065  .046     .014   .014   .014   .015   .007   .000   .000
O8     .3278  .0054 .0604     .031   .031   .031   .031   .015   .001  -.001
O9     .3246   .321 .0607     .023   .023   .023   .023   .012   .000   .000
O10    .4599  .5524 .0701     .034   .034   .035   .034   .017   .000   .000
O11    .2174  .4346 .0732     .058   .058   .058   .058   .029   .000   .000
O12    .0146  .3526 .0898     .028   .028   .027   .028   .014   .000  -.001
O13    .3396  .3536 .0901     .062   .062   .062   .062   .031   .000   .000
O14    .4286  .2096 .1022     .023   .023   .023   .023   .011   .000   .000
O15    .5682  .1257 .1057     .045   .045   .045   .045   .023   .000   .000
O16    .3379  .3447 .1197     .046   .046   .046   .046   .023   .000   .000
O17    .0027  .3406 .1215     .042   .042   .042   .042   .021   .000   .000
O18    .1205   .242 .1327     .054   .054   .054   .054   .027   .000   .000
O19    .2036  .0985 .1329     .049   .049   .049   .049   .025   .000   .000
O20     .323  .3149 .1504     .035   .035   .035   .035   .017   .000  -.001
O21    .3381   .023 .1514     .018   .018   .018   .019   .009   .000   .000
O22    .5535  .4539 .1611     .043   .043   .043   .043   .022   .000   .000
O23    .4349  .2201 .1685     .043   .043   .044   .043   .022   .000   .000
O24    .0149  .3526 .1808     .026   .026   .026   .026   .013   .000  -.001
O25     .328  .3435 .1815     .028   .028   .028   .028   .014   .000   .000
O26    .4456  .5661 .1983     .021   .021   .021   .021   .010   .000   .000
O27    .2053  .4015 .1993     .076   .076   .076   .076   .038   .000   .000
O28    .3507  .3311  .211     .009   .009   .009   .008   .004   .000   .000
O29    .3571  .0126 .2122     .042   .042   .042   .042   .021   .000   .000
O30    .4536  .2247 .2279     .055   .055   .055   .055   .028   .000   .000
O31    .5401  .4628 .2318     .046   .046   .046   .046   .023   .000   .000
O32    .3232  .0119 .2413     .035   .035   .035   .035   .018   .001   .000
O33    .3255  .3203 .2423     .003   .030   .030   .029   .015   .001  -.001
O34    .1183  .2274 .2579     .003   .031   .030   .030   .015   .000   .000
O35    .2437  .1174 .2626     .023   .023   .023   .022   .011   .000   .000
O36     .022  .3569  .273     .014   .014   .014   .014   .007   .000   .000
O37    .3242  .3474 .2737     .066   .066   .066   .066   .033   .001   .000
O38    .1302  .5614 .2864     .038   .038   .038   .038   .019   .000   .000
O39    .2053  .4164 .2912     .017   .017   .017   .017   .009   .000   .000
O40     .352  .0166 .3024     .013   .013   .013   .013   .007   .000  -.001
O41    .3539  .3496 .3013     .082   .082   .082   .082   .041   .000   .000
O42    .4646  .2303 .3192     .044   .044   .044   .044   .022   .000   .000
O43    .5448  .0864 .3229     .066   .065   .066   .066   .033   .000   .000
O44     .344  .0327  .334     .067   .068   .067   .067   .034   .000   .000
O45    .3444  .3192 .3345     .025   .025   .025   .025   .013   .000   .000
O46    .1184  .2258 .3435     .063   .063   .063   .063   .031   .000   .000
O47    .2242  .1094 .3518     .018   .018   .018   .018   .009   .000   .000
O48     .305  .3297 .3637     .063   .063   .063   .063   .032   .000   .000
O49    .0225  .3332 .3647     .028   .028   .028   .028   .014   .000   .000
O50    .0721  .5316 .3749     .019   .019   .020   .020   .010   .000   .000
O51    .2246  .4412 .3802     .047   .047   .047   .047   .024   .001   .000
O52    .0099  .3431 .3944     .001   .010   .010   .010   .005   .000  -.001
O53    .6509 -.0097 .3942     .036   .035   .036   .035   .018   .000   .000
O54    .4284   .219 .4032     .057   .057   .057   .057   .028   .000   .000
O55    .5613  .1151 .4086     .091   .091   .091   .091   .046   .000   .000
O56    .3386  .0291 .4239     .036   .036   .036   .036   .018   .000   .000
O57     .676  .0357 .4241     .012   .012   .012   .013   .006   .000   .000
O58    .1307  .2545 .4351     .055   .055   .055   .055   .028   .000   .000
O59     .346  .0014 .4534     .015   .015   .015   .015   .008  -.001   .000
O60    .2138  .1028 .4408     .034   .033   .033   .034   .017   .000   .000
O61    .3262  .3307 .4534     .043   .043   .043   .043   .021   .000   .000
O62    .2188  .4403 .4643     .064   .064   .064   .064   .032   .000   .000
O63    .4639   .531 .4667     .037   .037   .037   .037   .018   .000   .000
O64    .3279   .347 .4862     .023   .023   .023   .023   .011   .000   .000
O65    .2436  .1232 .4984     .024   .024   .024   .024   .012   .000   .000
O66    .3566  .3316 .5139     .013   .013   .013   .013   .007   .000   .000
S1         0      0     0     .042   .042   .042   .043   .021      0      0
S2       1/3    2/3  .029     .032   .032   .032   .032   .016      0      0
S3       2/3    1/3 .0597     .077   .077   .077   .077   .038      0      0
S4         0      0 .0897     .136
S5       1/3    2/3 .1125     .016
S6       1/3    2/3 .1631     .041   .040   .040   .042   .020      0      0
S7         0      0 .1707     .018   .018   .018   .018   .009      0      0
S8         0      0 .2226     .045   .045   .045   .044   .023      0      0
S9         0      0 .2994     .039   .039   .039   .039   .020      0      0
S10      2/3    1/3  .365     .005
S11        0      0 .3949     .004
S12     .356  .6929  .428     .009
S13      2/3    1/3 .4451     .002   .020   .020   .019   .010      0      0
S14      2/3    1/3 .4965     .024
Cl1      2/3    1/3 .2695     .035
Wat1     2/3    1/3 .1341     .002
Wat2     1/3    2/3 .2428     .002
Wat3    .362   .664 .3377     .012
O5SA     1/3    2/3 .0952     .097
O5SB   .2726  .5365 .1172     .025
O6SA     1/3    2/3 .1804     .006
O6SB     .26  .5371 .1587     .025
O7SA       0      0 .1533     .025
O7SB   .0643  .1264  .177     .094
O8SA       0      0 .2399     .006
O8SB   .0678  .1211 .2147     .049
O12B   .1896  .5856  .435     .045
O13A     2/3    1/3 .4277     .048
O13B   .5999  .2042 .4502     .028
O14A     2/3    1/3 .5138     .031
O14B   .6063  .2075 .4899     .003
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Natrite
Download hom/natrite.pdf
Arakcheeva A, Bindi L, Pattison P, Meisser N, Chapuis G, Pekov I
 
American Mineralogist 95 (2010) 574-581
The incommensurately modulated structures of natural natrite at 120
and 293 K from synchrotron X-ray data
Locality: Mt. Koashva, Khibiny massif, Kola peninsula, Russia
T = 120 K
_database_code_amcsd 0005042
8.825 5.194 5.953 90 101.83 90 C2/m
atom      x      y      z  occ  Uiso
Na1       0      0      0 .976 .0117
Na2       0      0     .5 .987 .0117
Na3  .17101     .5 .74766 .977 .0155
C    .16446     .5  .2492      .0103
O1   .10211 .29314 .28695      .0186
O2   .28945     .5 .17451      .0159
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 196
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Number of datasets in this page:100
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