American Mineralogist Crystal Structure Database

122 matching records for this search.

Pararealgar
Download hom/pararealgar.pdf
Bonazzi P, Menchetti S, Pratesi G
Download am/vol80/AM80_400.pdf
American Mineralogist 80 (1995) 400-403
The crystal structure of pararealgar
_database_code_amcsd 0001734
9.909 9.655 8.502 90 97.29 90 P2_1/c
atom     x     y      z Uiso
As1  .3187 .6355  .0432 .038
As2  .0819 .5427  .3252 .035
As3  .3698 .3607  .3431 .050
As4  .1455 .3439  .1643 .041
S1   .1645 .7187  .1923 .040
S2   .2537 .4782  .5099 .046
S3   .4703 .5276  .2192 .052
S4   .1964 .4483 -.0492 .042
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Paakkonenite
Download hom/paakkonenite.pdf
Bonazzi P, Borrini D, Mazzi F, Olmi F
Download am/vol80/AM80_1054.pdf
American Mineralogist 80 (1995) 1054-1058
Crystal structure and twinning of Sb2AsS2, the synthetic analogue of
paakkonenite
_database_code_amcsd 0001758
10.75 3.959 12.49 90 115.25 90 C2/m
atom      x  y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1  -.0452 .0 .1755   .033   .015   .030      0   .017      0
Sb2   .3119 .5 .3979   .027   .027   .058      0   .022      0
As   -.1058 .5 .0156   .025   .015   .011      0   .005      0
S1    .2114 .0 .2376   .030   .020   .005      0   .010      0
S2    .0937 .5 .4084   .031   .020   .057      0   .029      0
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Manganiandrosite-(La)
 
Bonazzi P, Menchetti S, Reinecke T
Download am/vol81/AM81_735.pdf
American Mineralogist 81 (1996) 735-742
Solid solution between piemontite and androsite-(La), a new mineral of the
epidote group from Andros Island, Greece
Sample: AND-517
Note: Mineral name changed from androsite-(La)
_database_code_amcsd 0001797
8.896 5.706 10.083 90 113.88 90 P2_1/m
atom     x     y     z  occ  Uiso
Mn1  .7587   .75 .1525  .60 .0117
Ca1  .7587   .75 .1525  .40 .0117
La2  .5922   .75 .4275  .25 .0110
Ce2  .5922   .75 .4275  .25 .0110
Pr2  .5922   .75 .4275  .05 .0110
Nd2  .5922   .75 .4275  .17 .0110
Ca2  .5922   .75 .4275  .24 .0110
Sr2  .5922   .75 .4275  .04 .0110
Si1  .3504   .75 .0368      .0086
Si2  .6937   .25 .2809      .0080
Si3  .1915   .75 .3251      .0066
Al1      0     0     0  .04 .0070
Mn1      0     0     0 .912 .0070
Fe1      0     0     0 .048 .0070
Al2      0     0    .5  .96 .0085
Mn2      0     0    .5 .038 .0085
Fe2      0     0    .5 .002 .0085
Cu3  .3130   .25 .2099  .01 .0129
Mn3  .3130   .25 .2099  .94 .0129
Fe3  .3130   .25 .2099  .05 .0129
H     .100   .25  .350        .07
O1   .2470 .9925 .0266      .0143
O2   .3140 .9746 .3601      .0104
O3   .8052 .0133 .3306      .0113
O4   .0576   .25 .1317      .0082
O5   .0481   .75 .1584      .0103
O6   .0796   .75 .4211      .0097
O7   .5189   .75 .1773      .0139
O8   .5545   .25 .3430      .0211
O9   .6036   .25 .1042      .0174
O10  .0913   .25 .4338      .0079
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Piemontite
Download hom/piemontite.pdf
Bonazzi P, Menchetti S, Reinecke T
Download am/vol81/AM81_735.pdf
American Mineralogist 81 (1996) 735-742
Solid solution between piemontite and androsite-(La), a new mineral of the
epidote group from Andros Island, Greece
Sample: VA-1a
_database_code_amcsd 0001798
8.890 5.690 10.135 90 114.44 90 P2_1/m
atom     x     y     z occ  Uiso
Ca1  .7590   .75 .1523 .67 .0128
Mn1  .7590   .75 .1523 .33 .0128
Th2  .5942   .75 .4256 .02 .0123
Ca2  .5942   .75 .4256 .29 .0123
Sr2  .5942   .75 .4256 .19 .0123
La2  .5942   .75 .4256 .11 .0123
Ce2  .5942   .75 .4256 .23 .0123
Pr2  .5942   .75 .4256 .03 .0123
Nd2  .5942   .75 .4256 .10 .0123
Sm2  .5942   .75 .4256 .02 .0123
Gd2  .5942   .75 .4256 .01 .0123
Si1  .3440   .75 .0399     .0082
Si2  .6893   .25 .2787     .0081
Si3  .1864   .75 .3213     .0072
Mn1      0     0     0 .30 .0086
Fe1      0     0     0 .20 .0086
Al1      0     0     0 .34 .0086
Mg1      0     0     0 .16 .0086
Al2      0     0    .5     .0072
Mn3  .3020   .25 .2151 .30 .0126
Fe3  .3020   .25 .2151 .20 .0126
Cu3  .3020   .25 .2151 .13 .0126
Al3  .3020   .25 .2151 .37 .0126
H     .062   .25  .341       .05
O1   .2401 .9921 .0327     .0154
O2   .3087 .9763 .3578     .0114
O3   .7998 .0135 .3357     .0139
O4   .0558   .25 .1313     .0095
O5   .0450   .75 .1524     .0116
O6   .0740   .75 .4153     .0101
O7   .5154   .75 .1768     .0162
O8   .5410   .25 .3286     .0208
O9   .6153   .25 .1027     .0203
O10  .0865   .25 .4311     .0093
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Bottinoite
Download hom/bottinoite.pdf
Bonazzi P, Mazzi F
Download am/vol81/AM81_1494.pdf
American Mineralogist 81 (1996) 1494-1500
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
model
Sample: BS2, synthetic
Note: U(1,2) for Sb1 and Sb3 changed to match symmetry constraints.
_database_code_amcsd 0001841
16.060 16.060 9.792 90 90 120 P3
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1      0      0      0   .017   .017   .003  .0085      0      0
Sb2    2/3    1/3 -.0883   .010   .010   .006   .005      0      0
Sb3    1/3    2/3 -.0021   .005   .005   .042  .0025      0      0
Sb4      0      0  .4974   .014   .014   .002   .007      0      0
Sb5    2/3    1/3  .4185   .010   .010   .018   .005      0      0
Sb6    1/3    2/3  .4987   .008   .008   .018   .004      0      0
Sb7  .3283 -.0066  .4704   .008   .009   .018   .003   .001   .003
Sb8  .6678  .0055  .4496   .014   .014   .002   .008  -.001      0
Ni1  .3379  .0080 -.0311   .010   .005   .031   .004   .000  -.003
Ni2  .6639 -.0065 -.0505   .013   .020   .001   .009  -.001  -.004
O1    .032   .117  -.120   .028   .005   .058   .010  -.007   .005
O2    .114   .081   .112   .021   .046   .001   .003  -.004   .004
O3    .579   .221  -.200   .018   .012   .042  -.005  -.015  -.013
O4    .697   .254   .027   .015   .023   .006   .011  -.008  -.002
O5    .302   .554   .119   .017   .019   .007   .010  -.004  -.002
O6    .364   .783  -.109   .025   .011   .022   .017  -.001  -.001
O7    .315   .097  -.159   .043   .021   .030   .028  -.009   .000
O8    .426   .116   .093   .027   .029   .004   .018  -.002  -.005
O9    .454   .036  -.147   .012   .011   .050   .006   .009  -.014
O10   .363  -.085   .088   .020   .020   .015   .009  -.005   .003
O11   .253  -.107  -.156   .031   .007   .015   .014  -.011  -.008
O12   .215  -.028   .091   .031   .039   .021   .027  -.024  -.016
O13   .582   .027   .070   .022   .057   .006   .021   .011   .008
O14   .693   .111  -.160   .013   .013   .015   .006   .003   .014
O15   .781   .081   .070   .026   .027   .012   .005   .000   .018
O16   .754  -.032  -.178   .015   .054   .048   .026   .009   .034
O17   .633  -.126   .067   .013   .040   .007   .000   .003   .003
O18   .553  -.091  -.172   .003   .027   .045  -.004  -.009  -.009
O19   .064   .112   .366   .029   .010   .031   .009   .002   .006
O20   .115   .042   .611   .018   .018   .019   .005   .007   .007
O21   .550   .269   .535   .005   .007   .004   .001   .000   .004
O22   .623   .220   .302   .025   .030   .013   .024  -.009  -.012
O23   .263   .550   .615   .022   .006   .007   .008   .005   .001
O24   .395   .778   .377   .017   .014   .022  -.004  -.002   .006
O25   .260   .039   .344   .031   .033   .018   .030  -.011  -.002
O26   .378   .113   .578   .012   .016   .006   .010   .001  -.002
O27   .447   .060   .347   .005   .029   .017   .009   .006  -.003
O28   .400  -.050   .585   .007   .020   .009   .006  -.005   .005
O29   .281  -.123   .346   .020   .006   .017   .011   .000  -.003
O30   .211  -.074   .581   .012   .009   .017   .002   .005   .007
O31   .618   .074   .567   .003   .016   .007  -.005  -.004   .005
O32   .732   .116   .326   .018   .029   .018   .013  -.005  -.004
O33   .779   .055   .562   .031   .014   .004   .009  -.005   .003
O34   .707  -.067   .330   .022   .036   .034   .023  -.013  -.009
O35   .607  -.108   .567   .004   .019   .007   .004   .004  -.002
O36   .551  -.040   .337   .010   .016   .024   .004  -.006   .007
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Bottinoite
Download hom/bottinoite.pdf
Bonazzi P, Mazzi F
Download am/vol81/AM81_1494.pdf
American Mineralogist 81 (1996) 1494-1500
Bottinoite, Ni(H2O)6[Sb(OH)6]2: Crystal structure, twinning and hydrogen-bond
model
Sample: BN1, natural
Locality: Bottino mine, Apuan Alps, Italy
Note: U(1,2) for Sb5 and Sb6 changed to match symmetry constraints.
_database_code_amcsd 0001842
16.045 16.045 9.784 90 90 120 P3
atom     x      y      z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb1      0      0      0   .016   .016   .005   .008      0      0
Sb2    2/3    1/3 -.0888   .008   .008   .002   .004      0      0
Sb3    1/3    2/3  .0002   .004   .004   .065   .002      0      0
Sb4      0      0  .4943   .012   .012   .011   .006      0      0
Sb5    2/3    1/3  .4193   .015   .015   .011  .0075      0      0
Sb6    1/3    2/3  .5037   .003   .003   .019  .0015      0      0
Sb7  .3273 -.0066  .4706   .012   .007   .020   .003   .003   .002
Sb8  .6679  .0052  .4501   .014   .005   .003   .000   .002   .001
Ni1  .3372  .0100 -.0368   .009   .007   .036   .002   .004  -.001
Ni2  .6605 -.0066 -.0524   .020   .036   .002   .016   .006   .002
O1    .033   .118  -.118   .036   .003   .041   .009  -.015  -.006
O2    .114   .084   .109   .040   .037   .006   .019   .008  -.004
O3    .581   .221  -.202   .016   .010   .036  -.007  -.013  -.007
O4    .701   .257   .023   .019   .015   .007   .006   .000   .000
O5    .302   .554   .118   .019   .016   .007   .006   .005   .003
O6    .360   .779  -.111   .025   .012   .021   .017  -.001  -.001
O7    .316   .099  -.158   .106   .029   .032   .054   .039   .015
O8    .425   .114   .099   .046   .024   .007   .024   .000  -.004
O9    .452   .034  -.152   .024   .008   .040   .005   .023   .009
O10   .365  -.085   .083   .015   .015   .033   .001  -.013   .003
O11   .254  -.108  -.160   .008   .004   .054  -.003  -.010  -.002
O12   .216  -.025   .088   .011   .023   .039   .010  -.006  -.013
O13   .580   .023   .068   .022   .057   .009   .021   .011   .008
O14   .697   .110  -.165   .009   .014   .019   .004  -.005   .004
O15   .778   .080   .067   .016   .029   .016   .005   .010   .019
O16   .755  -.026  -.175   .015   .054   .048   .026   .009   .034
O17   .631  -.128   .006   .012   .026   .010   .008  -.002  -.002
O18   .551  -.092  -.169   .018   .036   .012   .008  -.008  -.002
O19   .057   .109   .368   .025   .007   .037   .008   .011   .009
O20   .116   .041   .610   .020   .020   .020   .012   .014  -.002
O21   .550   .264   .537   .007   .007   .006   .000   .001   .004
O22   .620   .221   .299   .023   .027   .009   .018  -.008  -.015
O23   .261   .550   .613   .016   .007   .012   .005   .001  -.006
O24   .393   .779   .379   .016   .024   .044   .018   .001   .008
O25   .260   .038   .343   .026   .020   .018   .018  -.008   .006
O26   .375   .119   .575   .010   .014   .007   .007   .003  -.004
O27   .446   .058   .341   .008   .029   .017   .009   .006  -.003
O28   .399  -.052   .582   .014   .013   .011   .013  -.005  -.007
O29   .280  -.123   .348   .023   .008   .024   .004   .005   .003
O30   .214  -.070   .582   .009   .008   .021   .000   .006   .005
O31   .619   .072   .568   .009   .020   .008   .009  -.001   .008
O32   .736   .117   .326   .026   .031   .019   .011  -.008   .005
O33   .783   .057   .557   .031   .014   .007   .009  -.005   .003
O34   .710  -.062   .323   .018   .013   .007   .028   .001  -.002
O35   .608  -.106   .563   .017   .013   .007   .003   .001   .002
O36   .550  -.042   .333   .013   .016   .015   .003   .001   .001
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Kalsilite
Download hom/kalsilite.pdf
Cellai D, Bonazzi P, Carpenter M A
Download am/vol82/AM82_276.pdf
American Mineralogist 82 (1997) 276-279
Natural kalsilite, KAlSiO4, with P31c symmetry: Crystal structure and twinning
_database_code_amcsd 0001874
5.157 5.157 8.706 90 90 120 P31c
atom    x    y     z U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
K       0    0   .25  .0154  .0154  .0187  .0077      0      0
Al1   1/3  2/3 .0594  .0013  .0013  .0112 .00065      0      0
Si2   1/3  2/3 .4416  .0104  .0104  .0058  .0052      0      0
O1   .616 .011  .000   .009   .009   .031   .003   .006   .004
O2    1/3  2/3  .260   .036   .036   .004   .018      0      0
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Epidote
Download hom/epidote.pdf
Giuli G, Bonazzi P, Menchetti S
Download am/vol84/AM84_933.pdf
American Mineralogist 84 (1999) 933-936
Al-Fe disorder in synthetic epidotes: A single-crystal X-ray diffraction study
Sample: CC11c
_database_code_amcsd 0002248
8.891 5.624 10.164 90 115.44 90 P2_1/m
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
CaA1 .7574   .75 .1517       .0121  .0112  .0096      0  .0080      0
CaA2 .6047   .75 .4241       .0122  .0183  .0059      0  .0041      0
Si1  .3383   .75 .0467       .0046  .0026  .0100      0  .0035      0
Si2  .6832   .25 .2742       .0069  .0053  .0054      0  .0013      0
Si3  .1834   .75 .3183       .0042  .0047  .0028      0 -.0007      0
Fe1      0     0     0 .08   .0054  .0051  .0056  .0004  .0014  .0011
Al1      0     0     0 .92   .0054  .0051  .0056  .0004  .0014  .0011
Al2      0     0    .5       .0038  .0033  .0069 -.0003  .0030  .0006
Fe3  .2936   .25 .2247 .60   .0035  .0060  .0051      0  .0004      0
Al3  .2936   .25 .2247 .40   .0035  .0060  .0051      0  .0004      0
O1   .2345 .9942 .0416       .0154  .0023  .0086  .0013  .0056  .0025
O2   .3017 .9819 .3535       .0110  .0095  .0097 -.0043  .0053  .0001
O3   .7937 .0128 .3419       .0052  .0080  .0115 -.0020 -.0027 -.0038
O4   .0530   .25 .1298       .0104  .0045  .0114      0  .0090      0
O5   .0418   .75 .1449       .0061  .0091  .0045      0  .0025      0
O6   .0659   .75 .4059       .0118  .0060  .0051      0  .0066      0
O7   .5138   .75 .1807       .0061  .0102  .0100      0 -.0011      0
O8   .5230   .25 .3067       .0294  .0104  .0098      0  .0136      0
O9   .6295   .25 .0996       .0155  .0155  .0150      0  .0067      0
O10  .0796   .25 .4263       .0066  .0118  .0093      0  .0071      0
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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
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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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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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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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Mottanaite-(Ce)
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002818
19.032 4.746 10.248 90 110.97 90 P2/a
atom     x      y     z  occ Biso
B1   .1732  .5316 .4513       .56
B2   .2542  .4670 .1331       .44
Si1  .1039  .4834 .6508       .50
Si2  .1126  .4992 .1612       .55
BeT  .0393  .5424 .8668 .590  .92
LiT  .0393  .5424 .8668 .013  .92
AlM1     0      0     0 .497  .74
FeM1     0      0     0 .384  .74
TiM1     0      0     0 .070  .74
MgM1     0      0     0 .035  .74
CaM2 .0424  .0149 .3612 .186  .56
LaM2 .0424  .0149 .3612 .228  .56
CeM2 .0424  .0149 .3612 .386  .56
YM2  .0424  .0149 .3612 .003  .56
PrM2 .0424  .0149 .3612 .034  .56
NdM2 .0424  .0149 .3612 .071  .56
SmM2 .0424  .0149 .3612 .004  .56
EuM2 .0424  .0149 .3612 .001  .56
GdM2 .0424  .0149 .3612 .003  .56
ThM2 .0424  .0149 .3612 .076  .56
UM2  .0424  .0149 .3612 .008  .56
CaM3 .2471  .0032 .6614       .72
CaM4 .1570 -.0285 .9314       .85
O1   .0443  .2410 .5674       .73
O2   .1778  .3191 .7546       .70
O3   .0697 -.3100 .7410      1.52
O4   .1320 -.3296 .5416       .75
F5   .0367  .1967 .8716 .245 1.12
OH5  .0367  .1967 .8716 .272 1.12
O6   .2466 -.2416 .8582       .97
O7   .1666  .2332 .4443       .59
O8   .1324  .6756 .3071      1.05
O9   .1861  .3259 .1584       .85
O10  .0852  .7237 .0369      1.55
O11  .0506  .2608 .1566      1.69
O12    .25  .3369     0       .59
O13    .25  .6495    .5       .62
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Ciprianiite
 
Della Ventura G, Bonazzi P, Oberti R, Ottolini L
Download am/vol87/AM87_739.pdf
American Mineralogist 87 (2002) 739-744
Ciprianiite and mottanaite-(Ce), two new minerals
of the hellandite group from Latium (Italy)
_database_code_amcsd 0002819
19.059 4.729 10.291 90 111.33 90 P2/a
atom     x     y     z  occ Biso
B1   .1733 .5268 .4515       .75
B2   .2529 .4618 .1329       .71
Si1  .1039 .4849 .6501       .64
Si2  .1127 .4975 .1616       .71
BeT   .038  .535  .869 .409 1.41
LiT   .038  .535  .869 .019 1.41
AlM1     0     0     0 .479  .73
FeM1     0     0     0 .377  .73
TiM1     0     0     0 .097  .73
MgM1     0     0     0 .047  .73
MnM1     0     0     0 .016  .73
CaM2 .0429 .0175 .3598 .302  .66
LaM2 .0429 .0175 .3598 .045  .66
CeM2 .0429 .0175 .3598 .176  .66
YM2  .0429 .0175 .3598 .008  .66
PrM2 .0429 .0175 .3598 .027  .66
NdM2 .0429 .0175 .3598 .095  .66
SmM2 .0429 .0175 .3598 .010  .66
EuM2 .0429 .0175 .3598 .001  .66
GdM2 .0429 .0175 .3598 .004  .66
DyM2 .0429 .0175 .3598 .001  .66
ThM2 .0429 .0175 .3598 .314  .66
UM2  .0429 .0175 .3598 .017  .66
CaM3 .2476 .0017 .6611       .88
CaM4 .1564 .9652 .9312       .85
H      .04   .42   .90 .272  1.6
O1   .0444 .2441 .5673       .85
O2   .1786 .3179 .7584       .87
O3   .0715 .6991 .7351      1.32
O4   .1331 .6672 .5411       .94
F5   .0370 .1935 .8700 .245 1.13
Oh5  .0370 .1935 .8700 .272 1.13
O6   .2471 .7583 .8585       .82
O7   .1680 .2285 .4464       .80
O8   .1330 .6707 .3090      1.02
O9   .1864 .3260 .1581       .97
O10  .0847 .7297 .0395      1.31
O11  .0520 .2556 .1558      1.30
O12    .25 .3353     0       .91
O13    .25 .6481    .5       .84
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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-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
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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: PN6-400, 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
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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: PN6-500, 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
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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: PN6-600, 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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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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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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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
Download AMC data (View Text File)
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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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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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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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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
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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: 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
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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: 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)
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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: K5-700 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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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
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: K3-700 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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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: K3-800 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
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 = 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
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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
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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
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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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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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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
Download AMC data (View Text File)
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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_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)
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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: 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)
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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: 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)
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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: 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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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_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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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_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)
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_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)
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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_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)
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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_02-450, 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
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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)
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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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Stannite
Download hom/stannite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe100
_database_code_amcsd 0005838
5.4495 5.4495 10.726 90 90 90 I-42m
atom        x      y      z   Uiso
Cu(4d)      0    1/2    1/4 .01924
Fe(2a)      0      0      0 .01219
Sn(2b)      0      0    1/2 .01025
S(8i)  .75581 .75581 .87012 .01134
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Stannite
Download hom/stannite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe080
_database_code_amcsd 0005839
5.446 5.446 10.757 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .96 .01865
Zn(4d)      0    1/2    1/4 .03 .01865
Fe(4d)      0    1/2    1/4 .01 .01865
Fe(2a)      0      0      0 .78 .01227
Zn(2a)      0      0      0 .14 .01227
Cu(2a)      0      0      0 .08 .01227
Sn(2b)      0      0    1/2     .00987
S(8i)  .75528 .75528 .87028     .01100
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View JMOL 3-D Structure (permalink)
 
Stannite
Download hom/stannite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe050
_database_code_amcsd 0005840
5.4329 5.4329 10.8235 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .80 .01843
Zn(4d)      0    1/2    1/4 .15 .01843
Fe(4d)      0    1/2    1/4 .05 .01843
Fe(2a)      0      0      0 .40 .01481
Zn(2a)      0      0      0 .20 .01481
Cu(2a)      0      0      0 .40 .01481
Sn(2b)      0      0    1/2     .01079
S(8i)  .75545 .75545 .87072     .01123
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Kesterite
Download hom/kesterite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe030
_database_code_amcsd 0005841
5.4250 5.4250 10.868 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .50 .01558
Zn(4d)      0    1/2    1/4 .35 .01558
Fe(4d)      0    1/2    1/4 .15 .01558
Cu(2a)      0      0      0     .01734
Sn(2b)      0      0    1/2     .00985
S(8i)  .75621 .75621 .87185     .01030
Download AMC data (View Text File)
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View JMOL 3-D Structure (permalink)
 
Kesterite
Download hom/kesterite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe020
_database_code_amcsd 0005842
5.428 5.428 10.864 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .50 .01781
Zn(4d)      0    1/2    1/4 .40 .01781
Fe(4d)      0    1/2    1/4 .10 .01781
Cu(2a)      0      0      0     .01969
Sn(2b)      0      0    1/2     .01328
S(8i)  .75611 .75611 .87184     .01236
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View JMOL 3-D Structure (permalink)
 
Kesterite
Download hom/kesterite.pdf
Bonazzi P, Bindi L, Bernardini G P, Menchetti S
Download cm/vol41/CM41_639.pdf
The Canadian Mineralogist 41 (2003) 639-647
A model for the mechanism of incorporation of Cu, Fe and Zn in the
stannite - kesterite series, Cu2FeSnS4 - Cu2ZnSnS4
Sample: Fe000
_database_code_amcsd 0005843
5.434 5.434 10.856 90 90 90 I-42m
atom        x      y      z occ   Uiso
Cu(4d)      0    1/2    1/4 .50 .01300
Zn(4d)      0    1/2    1/4 .50 .01300
Cu(2a)      0      0      0     .01516
Sn(2b)      0      0    1/2     .00711
S(8i)  .75617 .75617 .87208     .00775
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Uzonite
Download hom/uzonite.pdf
Bindi L, Popova V, Bonazzi P
Download cm/vol41/CM41_1463.pdf
The Canadian Mineralogist 41 (2003) 1463-1468
Uzonite, As4S5, from the type locality: Single-crystal X-ray study
and effects of exposure to light
_database_code_amcsd 0005921
7.973 8.096 7.148 90 101.01 90 P2_1/m
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .02032    1/4 .80254 .0247  .0216  .0258  .0284      0  .0092      0
As2  .04931    1/4 .45664 .0243  .0284  .0206  .0212      0 -.0020      0
As3  .39269 .48893 .74424 .0278  .0232  .0257  .0346 -.0044  .0060 -.0048
S1    .1848  .4664  .9131 .0293  .0294  .0315  .0285 -.0019  .0088 -.0093
S2    .2292  .4634  .4520 .0265  .0320  .0224  .0259 -.0009  .0076  .0043
S3    .5419    1/4  .7885 .0318  .0183  .0322  .0438      0  .0030      0
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Laphamite
Download hom/laphamite.pdf
Bindi L, Bonazzi P, Spry P G
Download cm/vol46/CM46_269.pdf
The Canadian Mineralogist 46 (2008) 269-274
Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3
Locality: Western Middle Anthracite field, Northumberland County, Pennsylvania
Sample: LAP1
_database_code_amcsd 0006181
11.891 9.742 4.274 90 90.03 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)
As1   .2667 .1951 .8775     .0260  .0181  .0361  .0237 -.0016 -.0025  .0035
As2   .4895 .3239 .3735     .0245  .0169  .0345  .0221 -.0008 -.0001 -.0009
SeX1  .4032 .1192 .5209 .62 .0296  .0208   .038   .030  .0006 -.0003  .0001
SX1   .4032 .1192 .5209 .36 .0296  .0208   .038   .030  .0006 -.0003  .0001
AsX1  .4032 .1192 .5209 .02 .0296  .0208   .038   .030  .0006 -.0003  .0001
SeX2  .3472 .4092 .0210 .78 .0276  .0208   .036  .0261  .0018 -.0033  .0013
SX2   .3472 .4092 .0210 .19 .0276  .0208   .036  .0261  .0018 -.0033  .0013
AsX2  .3472 .4092 .0210 .03 .0276  .0208   .036  .0261  .0018 -.0033  .0013
SeX3  .1232 .3000 .5501 .88 .0256  .0156   .039  .0225  .0010 -.0032  .0007
SX3   .1232 .3000 .5501 .09 .0256  .0156   .039  .0225  .0010 -.0032  .0007
AsX3  .1232 .3000 .5501 .03 .0256  .0156   .039  .0225  .0010 -.0032  .0007
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Laphamite
Download hom/laphamite.pdf
Bindi L, Bonazzi P, Spry P G
Download cm/vol46/CM46_269.pdf
The Canadian Mineralogist 46 (2008) 269-274
Effects of sulfur-for-selenium substitution on the structure of laphamite, As2(Se,S)3
Locality: Western Middle Anthracite field, Northumberland County, Pennsylvania
Sample: LAP2
_database_code_amcsd 0006182
11.934 9.804 4.268 90 90.32 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)
As1  .26596 .1955 .8799     .0183  .0150  .0218  .0180 -.0013 -.0010  .0015
As2  .48961 .3243 .3764     .0182  .0146  .0215  .0183 -.0007 -.0002 -.0013
SeX1 .40305 .1185 .5225 .60 .0201  .0159  .0224  .0220  .0011  .0021 -.0002
SX1  .40305 .1185 .5225 .39 .0201  .0159  .0224  .0220  .0011  .0021 -.0002
AsX1 .40305 .1185 .5225 .01 .0201  .0159  .0224  .0220  .0011  .0021 -.0002
SeX2 .34742 .4097 .0227 .78 .0201  .0188  .0189  .0225  .0017 -.0026  .0007
SX2  .34742 .4097 .0227 .21 .0201  .0188  .0189  .0225  .0017 -.0026  .0007
AsX2 .34742 .4097 .0227 .01 .0201  .0188  .0189  .0225  .0017 -.0026  .0007
SeX3 .12264 .2997 .5515 .87 .0192  .0136  .0253  .0187  .0001  .0010  .0011
SX3  .12264 .2997 .5515 .11 .0192  .0136  .0253  .0187  .0001  .0010  .0011
AsX3 .12264 .2997 .5515 .02 .0192  .0136  .0253  .0187  .0001  .0010  .0011
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Strontiopiemontite
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Bonazzi P, Menchetti S, Palenzona A
 
European Journal of Mineralogy 2 (1990) 519-523
Strontiopiemontite, a new member of the epidote group,
from Val Graveglia, Liguria, Italy
Sample: SRPM
Locality: Val Graveglia, Liguria, Italy
_database_code_amcsd 0006386
8.849 5.671 10.203 90 114.63 90 P2_1/m
atom     x     y     z occ  Uiso
CaA1 .7604   .75 .1559 .78 .0118
MnA1 .7604   .75 .1559 .22 .0118
SrA2 .5949   .75 .4238 .73 .0116
CaA2 .5949   .75 .4238 .27 .0116
Si1  .3407   .75 .0403     .0075
Si2  .6852   .25 .2771     .0069
Si3  .1808   .75 .3154     .0059
AlM1     0     0     0 .78 .0085
MnM1     0     0     0 .19 .0085
FeM1     0     0     0 .03 .0085
AlM2     0     0    .5     .0069
AlM3 .2954   .25 .2189 .02 .0065
MnM3 .2954   .25 .2189 .69 .0065
FeM3 .2954   .25 .2189 .29 .0065
O1   .2335 .9905 .0344     .0112
O2   .3003 .9763 .3494     .0116
O3   .7957 .0151 .3401     .0107
O4   .0569   .25 .1307     .0102
O5   .0386   .75 .1452     .0078
O6   .0673   .75 .4077     .0097
O7   .5166   .75 .1712     .0136
O8   .5247   .25 .3130     .0134
O9   .6280   .25 .1024     .0229
OH10 .0829   .25 .4314     .0116
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Strontiopiemontite
Download hom/strontiopiemontite.pdf
Bonazzi P, Menchetti S, Palenzona A
 
European Journal of Mineralogy 2 (1990) 519-523
Strontiopiemontite, a new member of the epidote group,
from Val Graveglia, Liguria, Italy
Sample: SRPC
Locality: Val Graveglia, Liguria, Italy
_database_code_amcsd 0006387
8.870 5.681 10.209 90 114.88 90 P2_1/m
atom     x     y     z  occ  Uiso
CaA1 .7606   .75 .1559  .97 .0142
SrA1 .7606   .75 .1559  .03 .0142
CaA2 .5954   .75 .4233  .41 .0152
SrA2 .5954   .75 .4233  .59 .0152
Si1  .3403   .75 .0420      .0083
Si2  .6849   .25 .2783      .0097
Si3  .1811   .75 .3156      .0099
AlM1     0     0     0  .72 .0104
MnM1     0     0     0  .25 .0104
FeM1     0     0     0  .03 .0104
AlM2     0     0    .5      .0100
AlM3 .2940   .25 .2198  .02 .0097
MnM3 .2940   .25 .2198  .69 .0097
FeM3 .2940   .25 .2198  .29 .0097
O1   .2340 .9901 .0354      .0148
O2   .3013 .9782 .3511      .0097
O3   .7954 .0155 .3421      .0119
O4   .0580   .25 .1312      .0070
O5   .0407   .75 .1460      .0109
O6   .0650   .75 .4032      .0126
O7   .5145   .75 .1743      .0195
O8   .5234   .25 .3118      .0151
O9   .6292   .25 .1024      .0190
O10  .0823   .25 .4309      .0111
H    .0350   .25 .3350      .0540
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Piemontite
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Bonazzi P, Garbarino C, Menchetti S
 
European Journal of Mineralogy 4 (1992) 23-33
Crystal chemistry of piemontites: REE-bearing
piemontite from Monte Brugiana, Alpi Apuane, Italy
Sample: BR1A
Locality: Monte Brugiana, Alpi Apuane, Italy
_database_code_amcsd 0006434
8.884 5.685 10.152 90 115.00 90 P2_1/m
atom     x     y     z   occ  Uiso
CaA1 .7580   .75 .1518   .74 .0101
MnA1 .7580   .75 .1518  .245 .0101
CaA2 .5954   .75 .4261   .74 .0117
SrA2 .5954   .75 .4261   .03 .0117
LaA2 .5954   .75 .4261   .16 .0117
CeA2 .5954   .75 .4261   .04 .0117
PrA2 .5954   .75 .4261   .02 .0117
NdA2 .5954   .75 .4261   .06 .0117
SmA2 .5954   .75 .4261  .003 .0117
ThA2 .5954   .75 .4261  .004 .0117
AlM1     0     0     0 .5833 .0064
MgM1     0     0     0 .0266 .0064
MnM1     0     0     0  .245 .0064
FeM1     0     0     0   .13 .0064
AlM2     0     0 .5000 .5833 .0051
MgM2     0     0 .5000 .0266 .0051
MnM2     0     0 .5000  .245 .0051
FeM2     0     0 .5000   .13 .0051
AlM3 .2991   .25 .2194 .5833 .0087
MgM3 .2991   .25 .2194 .0266 .0087
MnM3 .2991   .25 .2194  .245 .0087
FeM3 .2991   .25 .2194   .13 .0087
Si1  .3421   .75 .0437       .0060
Si2  .6873   .25 .2761       .0059
Si3  .1867   .75 .3214       .0048
O1   .2367 .9920 .0354       .0106
O2   .3084 .9777 .3583       .0092
O3   .7990 .0152 .3362       .0098
O4   .0557   .25 .1303       .0068
O5   .0445   .75 .1502       .0087
O6   .0715   .75 .4121       .0069
O7   .5145   .75 .1806       .0111
O8   .5353   .25 .3211       .0172
O9   .6171   .25 .0994       .0151
O10  .0871   .25 .4323       .0069
H     .073   .25  .346         .02
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Piemontite
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Bonazzi P, Garbarino C, Menchetti S
 
European Journal of Mineralogy 4 (1992) 23-33
Crystal chemistry of piemontites: REE-bearing
piemontite from Monte Brugiana, Alpi Apuane, Italy
Sample: BR1C
Locality: Monte Brugiana, Alpi Apuane, Italy
_database_code_amcsd 0006435
8.881 5.683 10.150 90 114.99 90 P2_1/m
atom     x     y     z   occ  Uiso
CaA1 .7575   .75 .1517   .74 .0085
MnA1 .7575   .75 .1517  .245 .0085
CaA2 .5953   .75 .4261   .74 .0117
SrA2 .5953   .75 .4261   .03 .0117
LaA2 .5953   .75 .4261   .16 .0117
CeA2 .5953   .75 .4261   .04 .0117
PrA2 .5953   .75 .4261   .02 .0117
NdA2 .5953   .75 .4261   .06 .0117
SmA2 .5953   .75 .4261  .003 .0117
ThA2 .5953   .75 .4261  .004 .0117
AlM1     0     0     0 .5833 .0080
MgM1     0     0     0 .0266 .0080
MnM1     0     0     0  .245 .0080
FeM1     0     0     0   .13 .0080
AlM2     0     0    .5 .5833 .0071
MgM2     0     0    .5 .0266 .0071
MnM2     0     0    .5  .245 .0071
FeM2     0     0    .5   .13 .0071
AlM3 .2991   .25 .2192 .5833 .0065
MgM3 .2991   .25 .2192 .0266 .0065
MnM3 .2991   .25 .2192  .245 .0065
FeM3 .2991   .25 .2192   .13 .0065
Si1  .3415   .75 .0432       .0071
Si2  .6875   .25 .2758       .0069
Si3  .1874   .75 .3217       .0043
O1   .2363 .9916 .0353       .0143
O2   .3090 .9778 .3569       .0081
O3   .7985 .0155 .3375       .0093
O4   .0555   .25 .1303       .0068
O5   .0447   .75 .1499       .0081
O6   .0714   .75 .4108       .0065
O7   .5141   .75 .1823       .0110
O8   .5335   .25 .3200       .0193
O9   .6186   .25 .1004       .0204
O10  .0871   .25 .4321       .0053
H      .04   .25   .36         .02
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Piemontite
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Bonazzi P, Garbarino C, Menchetti S
 
European Journal of Mineralogy 4 (1992) 23-33
Crystal chemistry of piemontites: REE-bearing
piemontite from Monte Brugiana, Alpi Apuane, Italy
Sample: BR2P
Locality: Monte Brugiana, Alpi Apuane, Italy
_database_code_amcsd 0006436
8.857 5.671 10.156 90 115.29 90 P2_1/m
atom     x     y     z   occ  Uiso
CaA1 .7552   .75 .1510  .865 .0069
MnA1 .7552   .75 .1510 .2025 .0069
CaA2 .5982   .75 .4258  .865 .0117
SrA2 .5982   .75 .4258   .04 .0117
LaA2 .5982   .75 .4258   .02 .0117
CeA2 .5982   .75 .4258   .02 .0117
PrA2 .5982   .75 .4258  .002 .0117
NdA2 .5982   .75 .4258   .01 .0117
AlM1     0     0     0 .6266 .0055
MgM1     0     0     0 .0033 .0055
MnM1     0     0     0 .2025 .0055
FeM1     0     0     0   .17 .0055
AlM2     0     0    .5 .6266 .0055
MgM2     0     0    .5 .0033 .0055
MnM2     0     0    .5 .2025 .0055
FeM2     0     0    .5   .17 .0055
AlM3 .2980   .25 .2222 .6266 .0071
MgM3 .2980   .25 .2222 .0033 .0071
MnM3 .2980   .25 .2222 .2025 .0071
FeM3 .2980   .25 .2222   .17 .0071
Si1  .3421   .75 .0459   .99 .0048
Si2  .6860   .25 .2734   .99 .0050
Si3  .1862   .75 .3203   .99 .0048
O1   .2350 .9921 .0365       .0085
O2   .3070 .9792 .3562       .0082
O3   .7992 .0155 .3341       .0096
O4   .0581   .25 .1311       .0038
O5   .0430   .75 .1478       .0077
O6   .0728   .75 .4127       .0062
O7   .5161   .75 .1824       .0094
O8   .5329   .25 .3159       .0137
O9   .6169   .25 .0953       .0141
O10  .0890   .25 .4349       .0053
H     .081   .25  .330         .02
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Piemontite
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Bonazzi P, Garbarino C, Menchetti S
 
European Journal of Mineralogy 4 (1992) 23-33
Crystal chemistry of piemontites: REE-bearing
piemontite from Monte Brugiana, Alpi Apuane, Italy
Sample: BR2H
Locality: Monte Brugiana, Alpi Apuane, Italy
_database_code_amcsd 0006437
8.845 5.668 10.152 90 115.35 90 P2_1/m
atom     x     y     z   occ  Uiso
CaA1 .7550   .75 .1511  .865 .0103
MnA1 .7550   .75 .1511 .2025 .0103
CaA2 .5985   .75 .4254  .865 .0135
SrA2 .5985   .75 .4254   .04 .0135
LaA2 .5985   .75 .4254   .02 .0135
CeA2 .5985   .75 .4254   .02 .0135
PrA2 .5985   .75 .4254  .002 .0135
NdA2 .5985   .75 .4254   .01 .0135
AlM1     0     0     0 .6266 .0069
MgM1     0     0     0 .0033 .0069
MnM1     0     0     0 .2025 .0069
FeM1     0     0     0   .17 .0069
AlM2     0     0    .5 .6266 .0057
MgM2     0     0    .5 .0033 .0057
MnM2     0     0    .5 .2025 .0057
FeM2     0     0    .5   .17 .0057
AlM3 .2977   .25 .2226 .6266 .0071
MgM3 .2977   .25 .2226 .0033 .0071
MnM3 .2977   .25 .2226 .2025 .0071
FeM3 .2977   .25 .2226   .17 .0071
Si1  .3424   .75 .0462   .99 .0060
Si2  .6865   .25 .2733   .99 .0063
Si3  .1866   .75 .3200   .99 .0053
O1   .2347 .9925 .0368       .0100
O2   .3075 .9803 .3558       .0085
O3   .7997 .0160 .3341       .0105
O4   .0582   .25 .1309       .0068
O5   .0427   .75 .1475       .0082
O6   .0735   .75 .4125       .0078
O7   .5156   .75 .1831       .0113
O8   .5313   .25 .3154       .0120
O9   .6166   .25 .0961       .0153
O10  .0890   .25 .4347       .0074
H     .069   .25  .357         .02
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Aeschynite-(Y)
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Bonazzi P, Menchetti S
 
European Journal of Mineralogy 11 (1999) 1043-1049
Crystal chemistry of aeschynite-(Y) from the Western Alps:
residual electron density on difference-Fourier map
Sample: TR1
Locality: western Alps
_database_code_amcsd 0006807
10.862 7.483 5.150 90 90 90 Pnma
atom     x     y     z  occ  Uiso
YA   .4503   .25 .0333 .639 .0150
CeA  .4503   .25 .0333 .005 .0150
PrA  .4503   .25 .0333 .001 .0150
NdA  .4503   .25 .0333 .011 .0150
SmA  .4503   .25 .0333  .01 .0150
GdA  .4503   .25 .0333 .068 .0150
DyA  .4503   .25 .0333 .065 .0150
ErA  .4503   .25 .0333 .034 .0150
YbA  .4503   .25 .0333 .025 .0150
ThA  .4503   .25 .0333  .06 .0150
UA   .4503   .25 .0333 .004 .0150
CaA  .4503   .25 .0333  .01 .0150
TiB  .3593 .5137 .5446 .975 .0204
NbB  .3593 .5137 .5446 .025 .0204
WC    .177   .25  .603  .03  .023
O1   .2868 .4354 .8778       .024
O2   .5262 .4568 .7373       .025
O3   .6190   .25 .3114       .024
O4   .3506   .25 .4361       .023
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Aeschynite-(Y)
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Bonazzi P, Menchetti S
 
European Journal of Mineralogy 11 (1999) 1043-1049
Crystal chemistry of aeschynite-(Y) from the Western Alps:
residual electron density on difference-Fourier map
Sample: MI
Locality: western Alps
_database_code_amcsd 0006808
10.803 7.532 5.180 90 90 90 Pnma
atom     x     y     z  occ  Uiso
YA   .4503   .25 .0305  .54 .0075
LaA  .4503   .25 .0305 .001 .0075
CeA  .4503   .25 .0305 .009 .0075
PrA  .4503   .25 .0305 .003 .0075
NdA  .4503   .25 .0305 .032 .0075
SmA  .4503   .25 .0305 .034 .0075
GdA  .4503   .25 .0305 .072 .0075
DyA  .4503   .25 .0305 .071 .0075
ErA  .4503   .25 .0305 .043 .0075
YbA  .4503   .25 .0305  .03 .0075
ThA  .4503   .25 .0305  .12 .0075
UA   .4503   .25 .0305  .02 .0075
CaA  .4503   .25 .0305  .01 .0075
TiB  .3595 .5153 .5436 .975 .0122
NbB  .3595 .5153 .5436 .015 .0122
WB   .3595 .5153 .5436  .01 .0122
OC    .178   .25  .598  .02  .011
O1   .2865 .4370 .8772       .014
O2   .5261 .4571 .7353       .016
O3   .6204   .25 .3133       .016
O4   .3484   .25 .4376       .016
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