American Mineralogist Crystal Structure Database

21 matching records for this search.

Romerite
Download hom/romerite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download am/vol55/AM55_78.pdf
American Mineralogist 55 (1970) 78-89
The crystal structure of roemerite
_database_code_amcsd 0000195
6.463 15.309 6.341 90.53 101.08 85.73 P-1
atom      x       y       z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1       0       0       0 .01149 .00228 .01122  .00039  .00195 -.00044
Fe2  .33850  .32040  .59415 .00569 .00159 .00739 -.00029  .00109 -.00032
S1   .59285  .16794  .36415 .00801 .00195 .00938  .00002  .00156 -.00049
S2   .75980  .38682  .90730 .00610 .00175 .00894 -.00013  .00117 -.00034
O1   .43090  .20817  .48397 .01449 .00258 .01816  .00020  .00669 -.00159
O2   .58301  .21947  .16464 .01747 .00433 .01460  .00125  .00317  .00305
O3   .80677  .16991  .49380 .00897 .00316 .01684 -.00031 -.00026  .00187
O4   .53956  .07819  .32383 .01480 .00303 .03153 -.00123  .00593 -.00421
O5   .62142  .33029  .75584 .01099 .00353 .01896 -.00055 -.00141 -.00182
O6   .64356  .42242  .06814 .01530 .00260 .01795  .00006  .00741 -.00103
O7   .82510  .45660  .78307 .01440 .00272 .02191  .00017  .00738  .00206
O8   .94487  .33021  .00778 .00972 .00329 .01240  .00084  .00177  .00094
OW1  .25089  .04938 -.12957 .02611 .00352 .03803 -.00260  .01871 -.00484
OW2  .11209  .04923  .31091 .01533 .00507 .02070 -.00038  .00127 -.00401
OW3  .17529 -.11732  .09135 .04033 .00439 .01428  .00749  .00947  .00179
OW4  .25760  .25577  .84407 .01071 .00335 .01089 -.00005  .00220  .00055
OW5  .03495  .30719  .44316 .00954 .00318 .01019 -.00122  .00009 -.00020
OW6  .21791  .43565  .69570 .01343 .00230 .02071 -.00061  .00652  .00247
OW7  .37811  .38822  .33431 .01445 .00248 .01668  .00055  .00850  .00157
H1     .337    .018   -.175
H2     .276    .117   -.134
H3     .233    .063    .350
H4     .065    .095    .358
H5     .170   -.141    .205
H6     .225   -.147    .014
H7     .343    .231    .935
H8     .160    .277    .908
H9    -.040    .259    .440
H10    .011    .302    .311
H11    .300    .477    .789
H12    .055    .431    .709
H13    .337    .440    .315
H14    .460    .389    .237
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Butlerite
Download hom/butlerite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download am/vol56/AM56_751.pdf
American Mineralogist 56 (1971) 751-757
The crystal structure of butlerite
_database_code_amcsd 0000232
6.50 7.37 5.84 90 108.38 90 P2_1/m
atom     x     y     z Biso
Fe       0     0     0  .95
S    .3809   .25 .3530 1.12
O1   .2476 .0885 .2697 1.63
O2   .4559   .25 .6098 1.71
O3   .5587   .25 .2630 3.53
OH4  .1023   .75 .0886 1.51
OH5  .1844 .0133 .7647 2.95
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Ferricopiapite
Download hom/ferricopiapite.pdf
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R
Download am/vol58/AM58_314.pdf
American Mineralogist 58 (1973) 314-322
The copiapite problem: The crystal structure of a ferrian copiapite
_database_code_amcsd 0000315
7.390 18.213 7.290 93.67 102.05 99.27 P-1
atom      x     y     z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1       0     0     0 .69  .0158  .0032  .0166  .0012  .0038  .0006
Fe2   .7848 .3135 .5524      .0090  .0025  .0102  .0007  .0008  .0005
Fe3   .5990 .6718 .8058      .0091  .0026  .0097  .0009  .0011  .0004
S1    .8325 .7398 .2195      .0072  .0024  .0068  .0009  .0009  .0006
S2    .8170 .4175 .2188      .0076  .0020  .0086  .0006  .0021  .0009
S3    .6402 .1927 .1953      .0090  .0019  .0079  .0011  .0007  .0003
O1    .7367 .6750 .0714      .0141  .0021  .0099  .0006 -.0019  .0004
O2    .6930 .7698 .2963      .0095  .0035  .0155  .0013  .0044  .0004
O3    .0483 .2921 .6322      .0079  .0037  .0142  .0015 -.0006  .0014
O4    .0527 .2022 .8547      .0149  .0029  .0154  .0003  .0014  .0012
O5    .6201 .3910 .1085      .0095  .0033  .0052  .0000  .0021  .0001
O6    .8296 .4886 .3208      .0102  .0018  .0150  .0015  .0013  .0016
O7    .8774 .3626 .3474      .0085  .0026  .0084  .0014  .0011  .0014
O8    .9350 .4228 .0842      .0083  .0033  .0095  .0013  .0030  .0009
O9    .5655 .1159 .1687      .0261  .0027  .0094  .0023 -.0001 -.0002
O10   .5099 .7637 .8635      .0086  .0029  .0100  .0012 -.0001  .0001
O11   .7921 .2131 .0980      .0094  .0040  .0093  .0009  .0039  .0011
O12   .7185 .2128 .4053      .0119  .0020  .0109  .0017  .0009  .0011
OH13  .4626 .6604 .5454      .0083  .0030  .0118  .0017  .0003  .0016
Wat14 .6859 .2699 .7673      .0112  .0028  .0091 -.0003  .0016  .0005
Wat15 .8686 .4142 .7138      .0139  .0031  .0150  .0022  .0030  .0012
Wat16 .2076 .9474 .0665      .0373  .0066  .0389  .0023 -.0009 -.0026
Wat17 .6933 .5740 .7598      .0114  .0025  .0136  .0018  .0010  .0009
Wat18 .0158 .9866 .7338      .0500  .0071  .0369  .0009  .0116  .0003
Wat19 .8301 .7282 .7309      .0127  .0027  .0115  .0003  .0045 -.0006
Wat20 .1713 .0926 .0473      .0302  .0053  .0507  .0012 -.0022  .0015
Wat21 .7660 .9196 .4381      .0315  .0049  .0321  .0013  .0051 -.0016
Wat22 .5280 .5608 .2767      .0139  .0028  .0144  .0022  .0072  .0000
Wat23 .6356 .0743 .5949      .0524  .0061  .0430  .0040  .0086  .0043
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Montgomeryite
Download hom/montgomeryite.pdf
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R
Download am/vol61/AM61_12.pdf
American Mineralogist 61 (1976) 12-14
Additional data on the crystal structure of montgomeryite
_database_code_amcsd 0000486
10.004 24.083 6.235 90 91.60 90 C2/c
atom       x      y       z occ Biso
Ca1        0 .06132     .25      .97
Ca2        0 .33082     .25      .97
Al1      .25    .25       0      .48
Al2        0 .17177    -.25      .46
P1        .5 .29949    -.25      .46
P2    .25851 .11538 -.04081      .59
Mg         0 .52867    -.25  .5 1.16
O1    .61740 .26034  .70925      .88
O2    .47001 .33638  .55580     1.26
O3    .30933 .17528  .01354      .84
O4    .37484 .08760 -.15171      .98
O5    .13698 .11774 -.20051      .97
O6    .21850 .08628  .16276     1.55
OH    .37062 .27169  .21882      .60
Wat1  .16222 .32941  .53004     1.99
Wat2  .11263 .02580  .58142     1.26
Wat3a .11621 .46807  .61315  .5 2.70
Wat3b .12130 .51881  .02617  .5 2.54
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Fairfieldite
Download hom/fairfieldite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=26&spage=640
Acta Crystallographica B26 (1970) 640-645
The crystal structure of fairfieldite
Locality: Foote Mine, North Carolina, USA
_database_code_amcsd 0009374
5.79 6.57 5.51 102.27 108.67 90.30 P-1
atom      x     y     z Biso
Ca    .6020 .2337 .3332  .22
Mn        0     0     0  .32
P     .2463 .2325 .6472  .12
O1    .0031 .3264 .6157  .48
O2    .4552 .3995 .6940  .41
O3    .2461 .0699 .3965  .45
O4    .3058 .1177 .8785  .43
Wat5 -.1543 .3004 .0663  .58
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Tarbuttite
Download hom/tarbuttite.pdf
Cocco G, Fanfani L, Zanazzi P F
Download zk/vol123/ZK123_321.pdf
Zeitschrift fur Kristallographie 123 (1966) 321-329
The crystal structure of tarbuttite, Zn2(OH)PO4
Locality: Broken Hill, Rhodesia
_database_code_amcsd 0010630
5.499 5.654 6.465 102.85 102.77 86.83 P-1
atom     x     y     z Biso
Zn1  .3866 .2481 .4923  .17
Zn2  .0278 .7384 .1897  .05
P    .8387 .2500 .2735  .20
O1   .7724 .9917 .1482  .18
O2   .9357 .3867 .1287  .12
O3   .6034 .3817 .3338  .22
O4   .9722 .7458 .5083  .25
OH   .3661 .8850 .2990  .14
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Fornacite
Download hom/fornacite.pdf
Cocco G, Fanfani L, Zanazzi P F
Download zk/vol124/ZK124_385.pdf
Zeitschrift fur Kristallographie 124 (1967) 385-397
The crystal structure of fornacite
Locality: Reneville, Congo
_database_code_amcsd 0010641
8.101 5.893 17.547 90 110.00 90 P2_1/c
atom     x     y     z  occ Biso
Pb1  .2194 .2197 .3757      1.92
Pb2  .2225 .7731 .0589      1.67
Cu   .4859 .5082 .2486      1.33
As   .4865 .2595 .0814 .925 1.61
P    .4865 .2595 .0814 .075 1.61
Cr   .0504 .2597 .1589      1.05
O1   .5409 .0282 .1377       2.5
O2   .4723 .4779 .1322       2.5
O3   .2901 .2088 .0149       2.5
O4   .6377 .3153 .0476       2.5
O5   .9941 .0316 .1019       2.5
O6   .0044 .4726 .0944       2.5
O7   .2501 .2478 .2135       2.5
O8   .9271 .2889 .2182       2.5
OH   .3440 .7607 .2192       2.5
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Vauquelinite
Download hom/vauquelinite.pdf
Fanfani L, Zanazzi P F
Download zk/vol126/ZK126_433.pdf
Zeitschrift fur Kristallographie 126 (1968) 433-443
The crystal structure of vauquelinite and the relationships to fornacite
Locality: Beresov, Ural Mountains, Russia
_database_code_amcsd 0010658
13.754 5.806 9.563 90 94.57 90 P2_1/n
atom     x     y     z Biso
Pb1  .7363 .2256 .4954 2.99
Pb2  .0535 .7686 .1666 2.22
Cu1      0     0    .5 2.96
Cu2      0    .5    .5 1.33
Cr   .8620 .2625 .1811 1.69
P    .1584 .2737 .3207 1.83
O1   .1203 .0478 .3806 3.13
O2   .1104 .4780 .3868 3.25
O3   .1192 .2589 .1679 2.53
O4   .2683 .2951 .3470 2.50
O5   .8910 .0281 .1013 2.53
O6   .9103 .4836 .0964 1.98
O7   .9113 .2360 .3381 1.91
O8   .7470 .2735 .1838 2.32
OH   .9529 .7837 .3841 2.21
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Tsumebite
Download hom/tsumebite.pdf
Fanfani L, Zanazzi P F
Download mm/vol36/MM36_522.pdf
Mineralogical Magazine 36 (1967) 522-529
Structural similarities of some secondary lead minerals
Locality: Tsumeb, South West Africa
Note: coordinates of O atoms are from arsentsumebite
_database_code_amcsd 0014449
7.85 5.80 8.70 90 111 90 P2_1/m
atom      x     y      z
Pb1    .729   .25    .25
Pb2    .288   .25   .393
Cu2+      0     0      0
Cu2+      0    .5      0
S      .454   .75   .171
P      .032   .75   .340
OH1   .1707   .25  .0811
O2   -.2413   .25 -.4682
O3    .0928   .25  .5563
O4    .4336   .25  .9346
O5    .7754   .25 -.0543
O6   -.0002 .0302 -.2410
O7    .5099 .0252 -.2875
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Wardite
Download hom/wardite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download mm/vol37/MM37_598.pdf
Mineralogical Magazine 37 (1970) 598-605
The crystal structure of wardite
Locality: Fairfield, Utah, USA
_database_code_amcsd 0014451
7.03 7.03 19.04 90 90 90 P4_12_12
atom          x     y      z Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
P         .1427 .3659  .3488  .88 0.0048 0.0041 0.0006  0.0003 -0.0002  0.0001
Al(1)     .3984 .1057  .2581  .85 0.0050 0.0035 0.0006  0.0002  0.0003  0.0003
Al(2)     .1029 .1029      0 1.20 0.0073 0.0073 0.0005 -0.0004 -0.0002  0.0002
Na        .3733 .3733     .5 2.22 0.0139 0.0139 0.0008  0.0019  0.0007 -0.0007
O(1)     -.0317 .4279  .3091 1.85 0.0034 0.0151 0.0013  0.0013 -0.0004  0.0001
O(2)      .2960 .5112  .3378 1.64 0.0110 0.0131 0.0001 -0.0009  0.0007 -0.0006
O(3)      .2031 .1771  .3216 2.00 0.0122 0.0108 0.0010 -0.0025  0.0004 -0.0002
O(4)      .0994 .3532  .4274 1.56 0.0136 0.0072 0.0004  0.0057  0.0009  0.0006
OH(5)     .1326 .3537 -.0394 1.64 0.0078 0.0113 0.0008 -0.0002 -0.0002  0.0001
Wat(6)    .1883 .0294  .1915 2.27 0.0156 0.0146 0.0006 -0.0017 -0.0005 -0.0006
OH(7)     .4083 .3489  .2173 1.58 0.0089 0.0099 0.0007 -0.0042  0.0002 -0.0005
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Dundasite
Download hom/dundasite.pdf
Cocco G, Fanfani L, Nunzi A, Zanazzi P F
Download mm/vol38/MM38_564.pdf
Mineralogical Magazine 38 (1972) 564-569
The crystal structure of dundasite
Locality: Gonnesa, Sardinia, Italy
_database_code_amcsd 0014455
9.08 16.37 5.62 90 90 90 Pbnm
atom     x     y     z Biso
Pb   .5131 .4117   .75  2.4
Al   .3338 .1998  .998  2.3
C1   .4172 .3506   .25 2.50
C2   .7599 .4502   .25 2.80
O1   .4027 .3097 .0521  2.7
O2   .4599 .4224   .25  2.1
O3   .7737 .4112 .0506  2.5
O4   .7399 .5242   .25  2.8
OH1  .1969 .2076   .25  1.9
OH2  .4705 .1856   .75  1.9
OH3  .4619 .1668   .25  2.4
OH4  .2182 .2375   .75  2.4
Wat  .1085 .4576   .25 3.90
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Spencerite
Download hom/spencerite.pdf
Fanfani L, Nunzi A, Zanazzi P F
Download mm/vol38/MM38_687.pdf
Mineralogical Magazine 38 (1972) 687-692
Structure and twinning in spencerite
Locality: Salmo, British Columbia, Canada
_database_code_amcsd 0014456
10.448 5.282 11.208 90 116.73 90 P2/c
atom     x     y     z Biso
Zn1      0     0     0 1.75
Zn2      0 .0226   .25 1.46
Zn3  .2863 .7028 .4906 1.29
P    .1712 .5097 .1936  .16
O1   .0775 .2680 .1566  .69
O2   .0746 .7469 .1641 1.00
O3   .2805 .5027 .3375 1.28
O4   .2538 .5257 .1111  .89
OH   .1691 .0027 .4414 1.11
Wat1 .4967 .7873 .5873 1.42
Wat2    .5 .8153   .25  .70
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Buttgenbachite
Download hom/buttgenbachite.pdf
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R
Download mm/vol39/MM39_264.pdf
Mineralogical Magazine 39 (1973) 264-270
The crystal structure of buttgenbachite
Locality: Likasi, Congo
_database_code_amcsd 0014460
15.750 15.750 9.161 90 90 120 P6_3/mmc
atom     x      y     z occ Biso
Cu1     .5      0     0      .72
Cu2  .2012      0     0      .87
Cu3  .3352  .1676   .75      .82
Cu4  .3589  .0166   .25      .97
Cu5      0      0     0 .30 2.36
Cl1  .2764  .1382   .25     1.14
Cl2    2/3    1/3   .25 .35 3.69
N      2/3    1/3 .0557 .65 4.66
OH1  .4507  .3697 .0880      .88
OH2  .0743 -.0743 .0961     1.21
OH3  .6744  .7441 .1094     1.15
OH4  .4454  .5546   .25     1.88
Oa   .7123  .2877 .0748 .47 2.73
Ob   .6227  .3773 .0335 .18 3.55
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Schairerite
Download hom/schairerite.pdf
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R, Sabelli C
Download mm/vol40/MM40_131.pdf
Mineralogical Magazine 40 (1975) 131-139
The crystal structure of schairerite and its relationship to sulphohalite
Locality: Searles Lake, California, USA
_database_code_amcsd 0014463
12.197 12.197 19.259 90 90 120 P31m
atom     x     y     z Biso
Na1  .5152     0 .5166 1.49
Na1' .1591 .3340 .5147 1.25
Na2  .8128     0 .3789 1.05
Na2' .4788 .3318 .3846 1.31
Na3  .1892     0 .9294 1.23
Na3' .8470 .3359 .9339 1.22
Na4  .1759     0 .6468 1.20
Na4' .8448 .3337 .6527 1.25
Na5  .8236     0 .0957 1.84
Na5' .4783 .3312 .1034 1.77
Na6  .4879     0 .7928 1.22
Na6' .1515 .3345 .7941  .98
Na7  .5180     0 .2357 1.50
Na7' .1811 .3334 .2391 1.58
S1       0     0 .2376 1.05
S1'    2/3   1/3 .2532 1.00
S2       0     0 .7782  .95
S2'    2/3   1/3 .7950  .75
S3       0     0 .5074   .9
S3'    2/3   1/3 .5266  .72
S4   .6699     0 .6659  .81
S5   .6672     0 .9387  .90
S6   .3366     0 .3673  .83
S7   .3344     0 .0933  .62
O1A      0     0 .1631 3.05
O1B  .8884     0 .2636 1.17
O1A'   2/3   1/3 .3301 1.89
O1B' .6683 .2201 .2318 1.98
O2A      0     0 .7026 1.79
O2B  .1140     0 .8064 1.22
O2A'   2/3   1/3 .8717  .75
O2B' .5502 .2158 .7701 1.91
O3A      0     0 .4317 1.15
O3B  .1130     0 .5320 1.13
O3A'   2/3   1/3 .6043 1.16
O3B' .6720 .2209 .5021 1.76
O4A  .6771     0 .7416 1.13
O4B  .5517     0 .6460 1.13
O4C  .7834 .1167 .6403 1.36
O5A  .6678     0 .0146  .98
O5B  .5527     0 .9142 1.26
O5C  .7808 .1154 .9133 1.14
O6A  .3384     0 .2897 1.32
O6B  .4475     0 .3971 1.52
O6C  .3356 .1125 .3934 1.51
O7A  .3358     0 .0167 1.66
O7B  .4461     0 .1203 1.85
O7C  .3342 .1123 .1204 1.83
F1   .6858     0 .4658 1.37
F2   .3396     0 .8636  .86
F3   .3486     0 .5674  .98
F4   .6620     0 .3131 1.45
F5   .6753     0 .1666 1.14
F6   .3262     0 .7175  .74
Cl       0     0     0  .73
Cl'    2/3   1/3 .0296 1.87
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Galeite
Download hom/galeite.pdf
Fanfani L, Nunzi A, Zanazzi P F, Zanzari A R
Download mm/vol40/MM40_357.pdf
Mineralogical Magazine 40 (1975) 357-361
The crystal structure of galeite, Na15(SO4)5F4Cl
Locality: Searles Lake, California, USA
_database_code_amcsd 0014464
12.197 12.197 13.955 90 90 120 P31m
atom     x     y     z Biso
Na1  .5118     0 .7167 1.22
Na1' .1588 .3342 .7141 1.22
Na2  .8161     0 .5253 1.29
Na2' .4852 .3326 .5310 1.29
Na3  .1914     0 .8954 1.19
Na3' .8465 .3357 .9072 1.19
Na4  .8251     0 .1324 1.15
Na4' .4782 .3300 .1414 1.15
Na5  .5210     0 .3274 1.18
Na5' .1799 .3322 .3312 1.18
S1       0     0 .3243  .63
S1'    2/3   1/3 .3440  .63
S2       0     0 .6957  .55
S2'    2/3   1/3 .7200  .55
S3   .6700     0 .9216  .46
S4   .3365     0 .5092  .51
S5   .3339     0 .1311  .64
O1A      0     0 .2243 1.70
O1B  .8848     0 .3651 1.42
O1A'   2/3   1/3 .4441 1.70
O1B' .6704 .2209 .3098 1.42
O2A      0     0 .5887  .70
O2B  .1142     0 .7345 1.47
O2A'   2/3   1/3 .8270  .70
O2B' .6677 .2202 .6872 1.47
O3A  .6693     0 .0231  .33
O3B  .5536     0 .8853  .62
O3C  .7814 .1146 .8786 1.07
O4A  .3476     0 .3967 1.67
O4B  .4506     0 .5484 1.31
O4C  .8843 .2179 .5412 1.78
O5A  .3393     0 .0225 3.04
O5B  .4487     0 .1561 1.23
O5C  .3341 .1141 .1599 1.64
F1   .6795     0 .6394  .84
F2   .6754     0 .2389  .70
F3   .6592     0 .4316 1.59
F4   .3494     0 .7962 2.37
Cl       0     0     0 1.11
Cl'    2/3   1/3 .0447 1.11
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Kogarkoite
Download hom/kogarkoite.pdf
Fanfani L, Giuseppetti G, Tadini C, Zanazzi P F
Download mm/vol43/MM43_753.pdf
Mineralogical Magazine 43 (1980) 753-759
The crystal structure of kogarkoite, Na3SO4F
Locality: Mt Princeton, Colorado, USA
_database_code_amcsd 0014471
18.0790 6.958 11.443 90 107.71 90 P2_1/m
atom     x     y     z Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Na1     .5     0    .5 1.30  .0010  .0062  .0031 -.0004  .0005  .0006
Na2  .3494   .25 .3009 1.66  .0010  .0072  .0052      0  .0009      0
Na3  .1166   .25 .8732 1.37  .0008  .0057  .0042      0  .0006      0
Na4  .6149   .25 .3974 1.25  .0009  .0064  .0030      0  .0006      0
Na5  .8519   .25 .8160 1.16  .0011  .0060  .0023      0  .0006      0
Na6  .3934   .25 .9058 1.51  .0017  .0062  .0031      0  .0010      0
Na7      0     0     0 1.24  .0012  .0063  .0024  .0002  .0006  .0010
Na8  .8932   .25 .4380 1.25  .0014  .0051  .0026      0  .0008      0
Na9  .2790 .0274 .0296 1.10  .0009  .0058  .0022  .0000  .0005  .0002
Na10 .4651 .0180 .1900 1.38  .0010  .0066  .0039  .0001  .0008  .0003
Na11 .2447 .0008 .7330 1.25  .0012  .0063  .0024 -.0004  .0006 -.0006
Na12 .7737 .0222 .5510 1.32  .0013  .0063  .0030  .0002  .0009  .0006
Na13 .9700 .0233 .7084 1.22  .0011  .0058  .0029  .0001  .0007  .0002
S1   .1619   .25 .1931  .59  .0005  .0028  .0015      0  .0004      0
S2   .5970   .25 .0821  .67  .0005  .0037  .0015      0  .0003      0
S3   .6537   .25 .7022  .58  .0005  .0030  .0012      0  .0002      0
S4   .0849   .25 .5429  .65  .0006  .0030  .0016      0  .0004      0
S5   .3749   .25 .6120  .66  .0006  .0032  .0015      0  .0004      0
S6   .8697   .25 .1194  .58  .0005  .0030  .0013      0  .0003      0
O1   .1129 .0773 .1787 1.36  .0012  .0045  .0040 -.0010  .0009 -.0003
O2   .6458 .0768 .0945 1.38  .0013  .0040  .0041  .0008  .0009 -.0004
O3   .6532 .0764 .7756 1.30  .0013  .0051  .0028 -.0003  .0006  .0014
O4   .1334 .0768 .5535 1.27  .0011  .0039  .0039  .0006  .0009 -.0001
O5   .2021   .25 .0991 1.38  .0014  .0073  .0031      0  .0015      0
O6   .5598   .25 .1796 1.35  .0011  .0095  .0024      0  .0010      0
O7   .7242   .25 .6632 1.45  .0010  .0080  .0043      0  .0015      0
O8   .0475   .25 .6406 1.49  .0016  .0077  .0035      0  .0018      0
O9   .2196   .25 .3164 1.37  .0011  .0081  .0020      0 -.0001      0
O10  .5369   .25 .9616 1.76  .0010  .0135  .0018      0 -.0002      0
O11  .5838   .25 .5949 1.48  .0011  .0072  .0024      0 -.0005      0
O12  .0244   .25 .4223 1.60  .0012  .0096  .0023      0 -.0003      0
O13  .9181 .0771 .1282 1.49  .0013  .0055  .0038  .0012  .0006  .0002
O14  .8079   .25 .0003 1.25  .0009  .0090  .0016      0 -.0001      0
O15  .8344   .25 .2195 1.46  .0013  .0102  .0025      0  .0010      0
O16  .3747 .0782 .5374 1.82  .0022  .0052  .0043 -.0001  .0013 -.0019
O17  .4430   .25 .7203 2.84  .0021  .0150  .0044      0 -.0012      0
O18  .3044   .25 .6503 2.90  .0022  .0089  .0122      0  .0045      0
F1   .4788   .25 .3566 1.10  .0008  .0073  .0019      0  .0004      0
F2   .3776   .25 .0935 1.05  .0009  .0048  .0022      0  .0002      0
F3   .2376   .25 .8631 1.11  .0010  .0061  .0022      0  .0006      0
F4   .9901   .25 .8760  .98  .0008  .0048  .0022      0  .0004      0
F5   .7427   .25 .3945 1.13  .0011  .0056  .0023      0  .0006      0
F6   .8755   .25 .6271  .98  .0009  .0059  .0016      0  .0004      0
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Tarbuttite
Download hom/tarbuttite.pdf
Fanfani L, Zanazzi P F
 
Periodico di Mineralogia 34 (1965) 539-545
Dati strutturali sulla tarbuttite
Locality: Broken Hill, Rhodesia
_database_code_amcsd 0014936
5.499 5.654 6.465 102.85 102.77 86.83 P-1
atom    x    y    z
Zn1  .386 .248 .492
Zn2  .028 .738 .190
P    .838 .249 .273
O1   .773 .991 .149
O2   .937 .386 .129
O3   .602 .382 .333
O4   .973 .726 .508
OH   .366 .885 .298
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Zanazziite
Download hom/zanazziite.pdf
Fanfani L, Nunzi A, Zananni P F, Zanzari A R
 
Tschermaks Mineralogische und Petrographische Mitteilungen 22 (1975) 266-277
The crystal structure of roscherite
Locality: Lavra da Ilha, Taquaral, Minas Gerais, Brazil
_database_code_amcsd 0015658
15.874 11.854 6.605 90 95.43 90 C2/c
atom     x     y      z occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Ca       0 .2599    .25     .00069 .00387 .01037       0  .00145       0
Mg   .1714 .1630 -.0043  .7 .00054 .00311 .00802 -.00013  .00075 -.00035
Fe   .1714 .1630 -.0043  .3 .00054 .00311 .00802 -.00013  .00075 -.00035
Al       0     0      0 .67 .00064 .00445 .01439  .00200  .00129 -.00402
Be   .3322 .1772  .3024     .00061 .00348 .00863 -.00013  .00127 -.00042
P1   .1874 .1166  .4777     .00043 .00272 .00694 -.00011  .00083 -.00019
P2       0 .2727    .75     .00045 .00320 .00699       0  .00051       0
O1   .1431 .0023  .5012     .00143 .00328 .00982 -.00064  .00079  .00002
O2   .2816 .0989  .4508     .00064 .00384 .01033  .00016  .00142  .00600
O3   .1442 .1824  .2973     .00068 .00349 .00882 -.00011  .00038  .00034
O4   .1805 .1849  .6754     .00094 .00335 .00859  .00016  .00087 -.00066
O5   .0410 .2006  .9233     .00124 .00431 .00812  .00072  .00052  .00042
O6   .0661 .3496  .6600     .00059 .00393 .01397  .00006  .00148  .00024
OH7  .2999 .1636  .0644     .00074 .00342 .00780  .00001  .00079 -.00062
OH8      0 .0428    .75     .00071 .00435 .04580       0 -.00003       0
Wat9 .0935 .4205  .2200     .00122 .00373 .01244  .00008  .00089  .00006
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Roscherite
Download hom/roscherite.pdf
Fanfani L, Zanazzi P F, Zanzari A R
 
Tschermaks Mineralogische und Petrographische Mitteilungen 24 (1977) 169-178
The crystal structure of a triclinic roscherite
Note: B(3,3) changed from .00848 to .00488 to match reported Biso
Locality: Foote Mine, North Carolina, USA
_database_code_amcsd 0015664
15.921 11.965 6.741 91.07 94.35 89.99 C-1
atom      x      y      z occ Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Fe3+      0      0     .5 .42 1.51 .00087 .00473 .00561  .00040 .00100  .00262
Al3+      0      0     .5 .13 1.51 .00087 .00473 .00561  .00040 .00100  .00262
Mn3+      0      0     .5 .12 1.51 .00087 .00473 .00561  .00040 .00100  .00262
Ca    .0010  .2611  .2459      .96 .00085 .00211 .00488  .00025 .00107 -.00013
Mn2+A .1704  .1620 -.0078 .98  .82 .00060 .00205 .00394  .00012 .00055  .00013
Ca2+A .1704  .1620 -.0078 .01  .82 .00060 .00205 .00394  .00012 .00055  .00013
Mg2+A .1704  .1620 -.0078 .01  .82 .00060 .00205 .00394  .00012 .00055  .00013
Mn2+B .1706 -.1586  .4986 .98  .87 .00086 .00193 .00364  .00035 .00066 -.00027
Ca2+B .1706 -.1586  .4986 .01  .87 .00086 .00193 .00364  .00035 .00066 -.00027
Mg2+B .1706 -.1586  .4986 .01  .87 .00086 .00193 .00364  .00035 .00066 -.00027
BeA   .3305  .1727  .2965      .86 .00109 .00137 .00417  .00033 .00110 -.00079
BeB   .3332 -.1762 -.2009      .85 .00036 .00246 .00441  .00021 .00018  .00131
P1A   .1852  .1205  .4752      .80 .00068 .00190 .00363  .00017 .00086 -.00033
P1B   .1861 -.1207 -.0182      .77 .00078 .00161 .00384  .00018 .00071 -.00010
P2    .0022  .2761  .7477      .77 .00063 .00193 .00336  .00015 .00077 -.00044
O1A   .1378  .0106  .5043     1.07 .00086 .00190 .00705 -.00018 .00057 -.00040
O1B   .1412 -.0073  .0100     1.16 .00157 .00171 .00545  .00049 .00129 -.00063
O2A   .2782  .0960  .4382      .96 .00075 .00221 .00524  .00044 .00122  .00113
O2B   .2798 -.1012 -.0476     1.00 .00091 .00172 .00617  .00007 .00092 -.00119
O3A   .1410  .1859  .3046     1.10 .00091 .00284 .00437  .00034 .00077 -.00044
O3B   .1417 -.1871 -.1942     1.05 .00090 .00218 .00549 -.00023 .00050 -.00161
O4A   .1833  .1922  .6713      .99 .00091 .00270 .00310 -.00001 .00090 -.00048
O4B   .1795 -.1887  .1754     1.09 .00134 .00286 .00216  .00017 .00162  .00009
O5A   .0406  .2093  .9195     1.19 .00107 .00290 .00462  .00042 .00062 -.00058
O5B   .0332 -.1982  .4286     1.19 .00128 .00294 .00314  .00002 .00001 -.00115
O6A   .0685  .3520  .6609      .94 .00080 .00270 .00313  .00026 .00125  .00095
O6B   .0670 -.3517  .1728     1.26 .00068 .00292 .00822 -.00009 .00124 -.00098
OHA   .3011  .1587  .0647      .94 .00080 .00214 .00425  .00005 .00008 -.00073
OHB   .3020 -.1619 -.4307     1.04 .00094 .00271 .00355  .00029 .00049  .00017
Wat1  .0003  .0446  .2157     1.40 .00119 .00296 .00747  .00024 .00112  .00094
Wat2A .0944  .4209  .2354     1.61 .00187 .00293 .00729  .00004 .00109 -.00060
Wat2B .0944 -.4194 -.2768     1.57 .00142 .00272 .00981  .00054 .00128 -.00065
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Strunzite
Download hom/strunzite.pdf
Fanfani L, Tomassini M, Zanazzi P F, Zanzari A R
 
Tschermaks Mineralogische und Petrographische Mitteilungen 25 (1978) 77-87
The crystal structure of strunzite, a contribution to the
crystal chemistry of basic ferric-manganous hydrated phosphates
Locality: Big Chief mine, Glendale, South Dakota
_database_code_amcsd 0015670
10.228 9.837 7.284 90.17 98.44 117.44 P-1
atom       x      y      z Biso
Mn     .5037  .3338  .2445  .93
Fe1   -.0307  .2435  .1373  .98
Fe2    .0260 -.2290  .3630 1.04
P1    -.1864  .4664  .0607  .83
P2     .1917  .1531  .4342  .67
O1    -.3481  .4256  .0667  2.5
O2    -.1758  .3191  .0312  1.5
O3    -.0853 -.4445  .2458  1.1
O4    -.1407 -.4316 -.1044  1.5
O5     .1000  .1508  .2454  1.1
O6     .1508 -.0133  .4783  1.2
O7     .3549  .2430  .4251  2.1
O8     .1606  .2289  .5945  1.2
OH1   -.0408  .3084  .3926  1.1
OH2    .0347 -.1524  .1115  1.4
Wat1   .3138  .2511  .0097  1.4
Wat2   .3122 -.4351  .5171  1.8
Wat3   .4893 -.4520  .2580  1.9
Wat4  -.4763  .1230  .1925  5.3
Wat5   .2289 -.2306  .3338  1.4
Wat6  -.2241  .0387  .1677  1.4
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Metaswitzerite
Download hom/metaswitzerite.pdf
Fanfani L, Zanazzi P F
 
Tschermaks Mineralogische und Petrographische Mitteilungen 26 (1979) 255-269
Switzerite: its chemical formula and crystal structure
Locality: North Carolina
Note: could not reproduce Wat18 bond lengths
Note: IMA official name of this phase changed from switzerite
_database_code_amcsd 0015677
8.496 13.173 17.214 90 96.65 90 P2_1/c
atom       x      y     z occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
MnMe1  .2106  .1548 .7633     1.01  .0016  .0007  .0019  .0001  .0008  .0000
MnMe2  .1835  .6555 .7310      .89  .0012  .0006  .0016  .0001  .0002  .0001
MnMe3  .2842  .9198 .7355     1.06  .0015  .0008  .0019  .0001  .0006  .0001
MnMe4  .6863  .9210 .7451      .92  .0012  .0007  .0017  .0000  .0002  .0000
FeMe5  .1086  .8329 .0187  .9 1.23  .0045  .0010  .0016  .0005  .0011  .0001
FeMe6  .3724  .0864 .4606 .85 1.11  .0026  .0013  .0015  .0001 -.0001  .0001
P1     .0471  .3289 .8652      .90  .0016  .0008  .0015  .0002  .0002 -.0001
P2     .9764  .0125 .1355      .78  .0012  .0006  .0014 -.0002  .0002  .0001
P3     .5413  .2496 .8639      .89  .0016  .0008  .0014  .0003  .0004  .0001
P4     .5132  .5986 .8531      .91  .0014  .0011  .0013 -.0003  .0001 -.0001
O1     .0421  .2091 .4488     1.85  .0067  .0017  .0021  .0010  .0005 -.0002
O2     .2100  .1204 .3585     1.32  .0023  .0028  .0012  .0013  .0005  .0003
O3     .0816  .5907 .1562     1.52  .0031  .0013  .0023  .0009 -.0006 -.0003
O4     .0296  .2621 .3062     1.21  .0009  .0016  .0020  .0011  .0009  .0007
O5     .0344  .4388 .4329     1.61  .0076  .0014  .0016  .0001  .0018  .0000
O6     .1332 -.0053 .1868     1.41  .0012  .0022  .0020  .0006 -.0004  .0005
O7     .0304  .6251 .3929     1.37  .0034  .0018  .0017 -.0004  .0003  .0000
O8     .1620  .4904 .3148     1.14  .0021  .0007  .0021 -.0003  .0010 -.0003
O9     .4240  .3325 .3339     1.51  .0037  .0016  .0020 -.0001  .0001  .0007
O10    .5250  .1573 .3084     1.24  .0029  .0017  .0015  .0000  .0001 -.0006
O11    .2886  .7921 .1324     1.37  .0014  .0018  .0021  .0003  .0004 -.0001
O12    .5072  .2150 .4466     1.58  .0042  .0023  .0017 -.0008  .0006  .0004
O13    .4796  .2872 .1305     1.06  .0015  .0008  .0019 -.0007  .0008 -.0004
O14    .3655  .9296 .2950     1.03  .0019  .0009  .0017 -.0004  .0005  .0002
O15    .5005  .9593 .4285     1.32  .0028  .0012  .0021  .0000  .0012 -.0003
O16    .3326  .4351 .1820      .97  .0008  .0010  .0017  .0003  .0001 -.0002
Wat17  .2333  .2117 .1834     1.33  .0051  .0010  .0016  .0009  .0003  .0002
Wat18 -.0215  .3918 .1836     1.47  .0024  .0022  .0020  .0005  .0007  .0005
Wat19  .2515  .7139 .3088     1.05  .0017  .0017  .0013 -.0003  .0006 -.0002
Wat20  .4888  .0349 .1674     1.83  .0055  .0020  .0022  .0006  .0008  .0009
Wat21  .2061  .8148 .4644     2.75  .0047  .0049  .0030  .0001  .0005  .0010
Wat22  .1724  .4646 .0209     4.60  .0040  .0147  .0023 -.0025  .0014 -.0026
Wat23  .3315 -.4101 .4896     7.70  .0148  .0112  .0091  .0091 -.0033 -.0053
Wat24  .3236  .1190 .0148     5.15  .0166  .0086  .0042 -.0056  .0017  .0001
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Total number of retrieved datasets: 21
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