American Mineralogist Crystal Structure Database

32 matching records for this search.

Gersdorffite-Pa3
 
Bayliss P
Download am/vol53/AM53_290.pdf
American Mineralogist 53 (1968) 290-293
The crystal structure of disordered gersdorffite
_database_code_amcsd 0000168
5.7053 5.7053 5.7053 90 90 90 Pa3
atom     x     y     z  occ Biso
Ni       0     0     0      1.2
As   .3785 .3785 .3785 .615  .9
S    .3785 .3785 .3785 .385  .9
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View JMOL 3-D Structure (permalink)
 
Ullmannite
Download hom/ullmannite.pdf
Bayliss P
Download am/vol62/AM62_369.pdf
American Mineralogist 62 (1977) 369-373
Crystal structure refinement of arsenian ullmannite
approximate cubic structure
_database_code_amcsd 0000576
5.886 5.886 5.886 90 90 90 P2_13
atom      x      y      z occ Biso
Ni   -.0171 -.0171 -.0171 .97  .65
Co   -.0171 -.0171 -.0171 .03  .65
S     .3817  .3817  .3817 .98  .80
As    .3817  .3817  .3817 .02  .80
Sb    .6256  .6256  .6256 .91  .62
As    .6256  .6256  .6256 .08  .62
Bi    .6256  .6256  .6256 .01  .62
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Ullmannite
Download hom/ullmannite.pdf
Bayliss P
Download am/vol62/AM62_369.pdf
American Mineralogist 62 (1977) 369-373
Crystal structure refinement of arsenian ullmannite
_database_code_amcsd 0000577
5.886 5.886 5.886 90 90 90 P1
atom      x      y      z occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ni1  -.0174 -.0162 -.0179 .97  .0060  .0039  .0050  .0004  .0007  .0007
Co1  -.0174 -.0162 -.0179 .03  .0060  .0039  .0050  .0004  .0007  .0007
Ni2   .5165  .0184  .4841 .97  .0050  .0038  .0055 -.0002  .0002  .0005
Co2   .5165  .0184  .4841 .03  .0050  .0038  .0055 -.0002  .0002  .0005
Ni3   .4811  .5170  .0164 .97  .0051  .0045  .0047 -.0002  .0002  .0009
Co3   .4811  .5170  .0164 .03  .0051  .0045  .0047 -.0002  .0002  .0009
Ni4   .0163  .4833  .5171 .97  .0054  .0036  .0047 -.0002  .0004  .0002
Co4   .0163  .4833  .5171 .03  .0054  .0036  .0047 -.0002  .0004  .0002
S1    .3818  .3829  .3815 .99  .0073  .0047  .0052 -.0013  .0003  .0008
As1   .3818  .3829  .3815 .01  .0073  .0047  .0052 -.0013  .0003  .0008
S2    .1200  .6200  .8816      .0069  .0040  .0050 -.0011  .0000 -.0004
S3    .8816  .1193  .6186 .95  .0076  .0063  .0065  .0011  .0004  .0012
As3   .8816  .1193  .6186 .05  .0076  .0063  .0065  .0011  .0004  .0012
S4    .6189  .8835  .1185      .0073  .0041  .0049  .0009  .0006  .0001
Sb1   .6249  .6266  .6259 .96  .0048  .0039  .0049  .0000  .0006  .0006
As1   .6249  .6266  .6259 .04  .0048  .0039  .0049  .0000  .0006  .0006
Sb2   .8736  .3744  .1255 .91  .0050  .0040  .0048  .0001  .0003  .0004
As2   .8736  .3744  .1255 .06  .0050  .0040  .0048  .0001  .0003  .0004
Bi2   .8736  .3744  .1255 .03  .0050  .0040  .0048  .0001  .0003  .0004
Sb3   .1256  .8748  .3743 .96  .0052  .0038  .0048 -.0001  .0003  .0006
As3   .1256  .8748  .3743 .03  .0052  .0038  .0048 -.0001  .0003  .0006
Bi3   .1256  .8748  .3743 .01  .0052  .0038  .0048 -.0001  .0003  .0006
Sb4   .3744  .1262  .8745 .80  .0046  .0032  .0042 -.0001  .0005  .0003
As4   .3744  .1262  .8745 .20  .0046  .0032  .0042 -.0001  .0005  .0003
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View JMOL 3-D Structure (permalink)
 
Pyrite
Download hom/pyrite.pdf
Bayliss P
Download am/vol62/AM62_1168.pdf
American Mineralogist 62 (1977) 1168-1172
Crystal structure refinement of a weakly anisotropic pyrite
cubic model
_database_code_amcsd 0000605
5.4166 5.4166 5.4166 90 90 90 Pa3
atom     x     y     z Biso
Fe       0     0     0  .28
S    .3851 .3851 .3851  .33
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Pyrite
Download hom/pyrite.pdf
Bayliss P
Download am/vol62/AM62_1168.pdf
American Mineralogist 62 (1977) 1168-1172
Crystal structure refinement of a weakly anisotropic pyrite
_database_code_amcsd 0000606
5.4166 5.4166 5.4166 90 90 90 P1
atom      x     y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Fe1   .0010 .0020 .0030  .0023  .0024  .0017  .0000  .0000  .0004
Fe2   .4966 .0001 .5036  .0026  .0026  .0019  .0002 -.0003 -.0001
Fe3   .5001 .5020 .0011  .0026  .0021  .0022  .0007 -.0002 -.0003
Fe4  -.0006 .5013 .5038  .0026  .0026  .0016  .0001 -.0002 -.0001
S1    .3857 .3832 .3840  .0020  .0018  .0004 -.0007 -.0003 -.0004
S2    .1149 .6114 .8846  .0038  .0069  .0050  .0002 -.0001 -.0007
S3    .8854 .1157 .6143  .0034  .0001 -.0002 -.0001 -.0004 -.0004
S4    .6153 .8865 .1141  .0039  .0075  .0039 -.0003 -.0008 -.0010
S5    .6151 .6132 .6137  .0035  .0046  .0049  .0002 -.0002  .0000
S6    .8854 .3818 .1149  .0026 -.0005 -.0002  .0000 -.0003  .0002
S7    .1147 .8856 .3841  .0035  .0057  .0054  .0001 -.0003 -.0001
S8    .3857 .1161 .8842  .0014 -.0004  .0011  .0004  .0001  .0004
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Ullmannite
Download hom/ullmannite.pdf
Pratt J L, Bayliss P
Download am/vol65/AM65_154.pdf
American Mineralogist 65 (1980) 154-156
Crystal structure refinement of a cobaltian ullmannite
_database_code_amcsd 0000774
5.9218 5.9218 5.9218 90 90 90 P2_13
atom      x      y      z occ Biso
Ni   -.0178 -.0178 -.0178 .86 0.56
Co   -.0178 -.0178 -.0178 .14 0.56
S     .3816  .3816  .3816     0.83
Sb    .6264  .6264  .6264     0.55
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Cobaltite
Download hom/cobaltite.pdf
Bayliss P
Download am/vol67/AM67_1048.pdf
American Mineralogist 67 (1982) 1048-1057
A further crystal structure refinement of cobaltite
_database_code_amcsd 0000883
5.592 5.587 5.567 90 90 90 Pca2_1
atom     x     y     z Biso
Co   .9955 .2596     0 0.35
As   .3845 .6314 .3809 0.64
S    .6195 .8694 .6168 0.23
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Gersdorffite-Pca21
 
Bayliss P
Download am/vol67/AM67_1058.pdf
American Mineralogist 67 (1982) 1058-1064
A further crystal structure refinement of gersdorffite
Sample: M15861
Locality: Garson mine, Sudbury, Ontario, Canada
_database_code_amcsd 0000884
5.622 5.622 5.622 90 90 90 Pca2_1
atom    x    y    z occ
Fe      0  .25    0 .19
Co      0  .25    0 .27
Ni      0  .25    0 .54
As1  .375 .625 .375 .52
S1   .375 .625 .375 .48
As2  .625 .875 .625 .52
S2   .625 .875 .625 .48
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Tolovkite
Download hom/tolovkite.pdf
Bayliss P
Download am/vol74/AM74_1168.pdf
American Mineralogist 74 (1989) 1168-1176
Crystal chemistry and crystallography of some minerals within the pyrite group
_database_code_amcsd 0001275
6.025 6.025 6.025 90 90 90 Pca2_1
atom      x     y     z Biso
Ir   -.0067 .2612 .0022  0.2
Sb    .3776 .6276 .3776  0.4
S     .6224 .8724 .6224  0.8
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Fukuchilite
Download hom/fukuchilite.pdf
Bayliss P
Download am/vol74/AM74_1168.pdf
American Mineralogist 74 (1989) 1168-1176
Crystal chemistry and crystallography of some minerals within the pyrite group
_database_code_amcsd 0001276
5.585 5.585 5.585 90 90 90 Pa3
atom     x     y     z occ
Cu       0     0     0  .7
Fe       0     0     0  .3
S    .3951 .3951 .3951
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View JMOL 3-D Structure (permalink)
 
Maslovite
Download hom/maslovite.pdf
Bayliss P
Download am/vol74/AM74_1168.pdf
American Mineralogist 74 (1989) 1168-1176
Crystal chemistry and crystallography of some minerals within the pyrite group
_database_code_amcsd 0001277
6.687 6.687 6.687 90 90 90 Pa3
atom    x    y    z  occ
Pt      0    0    0  .73
Pd      0    0    0  .27
Bi   .369 .369 .369  .65
Te   .369 .369 .369 .315
Sb   .369 .369 .369 .035
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Stibarsen
Download hom/stibarsen.pdf
Bayliss P
Download am/vol76/AM76_257.pdf
American Mineralogist 76 (1991) 257-265
Crystal chemistry and crystallography of some minerals in the tetradymite group
_database_code_amcsd 0001345
4.0255 4.0255 10.837 90 90 120 R-3m
atom x y  z
As   0 0  0
Sb   0 0 .5
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View JMOL 3-D Structure (permalink)
 
Volynskite
Download hom/volynskite.pdf
Bayliss P
Download am/vol76/AM76_257.pdf
American Mineralogist 76 (1991) 257-265
Crystal chemistry and crystallography of some minerals in the tetradymite group
_database_code_amcsd 0001346
4.468 4.468 20.75 90 90 120 P-3m1
atom   x   y    z
Ag     0   0   .5
Ag   1/3 2/3  2/3
Bi     0   0    0
Bi   1/3 2/3 .163
Te     0   0  .25
Te   1/3 2/3 .417
Te   1/3 2/3 .917
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View JMOL 3-D Structure (permalink)
 
Ingodite
Download hom/ingodite.pdf
Bayliss P
Download am/vol76/AM76_257.pdf
American Mineralogist 76 (1991) 257-265
Crystal chemistry and crystallography of some minerals in the tetradymite group
_database_code_amcsd 0001347
4.2477 4.2477 23.075 90 90 120 P-3m1
atom   x   y    z occ
Bi     0   0 .124
Bi   1/3 2/3 .291
Bi   2/3 1/3 .459
S      0   0 .362 .56
Te     0   0 .362 .44
S    1/3 2/3 .056 .56
Te   1/3 2/3 .056 .44
S    2/3 1/3 .211 .56
Te   2/3 1/3 .211 .44
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Titanomagnetite
 
Stout M Z, Bayliss P
Download cm/vol13/CM13_86.pdf
The Canadian Mineralogist 13 (1975) 86-88
Crystal structure of a natural titanomagnetite
_database_code_amcsd 0005107
8.3976 8.3976 8.3976 90 90 90 *Fd3m
.125 .125 .125
atom      x      y      z  occ Biso
FeA    .125   .125   .125 .997 .701
MnA    .125   .125   .125 .014 .701
SiA    .125   .125   .125 .008 .701
FeB      .5     .5     .5 .604 .616
TiB      .5     .5     .5 .295 .616
AlB      .5     .5     .5 .044 .616
MgB      .5     .5     .5 .025 .616
CrB      .5     .5     .5 .019 .616
VB       .5     .5     .5 .010 .616
CaB      .5     .5     .5 .003 .616
O    .26277 .26277 .26277      .723
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Magnetite
Download hom/magnetite.pdf
Stout M Z, Bayliss P
Download cm/vol18/CM18_339.pdf
The Canadian Mineralogist 18 (1980) 339-341
Crystal structure of two ferrian ulvospinels from British Columbia
Note: sample NR5
Locality: Aiyansh basalt lava flow, Nass River valley, British Columbia, Canada
_database_code_amcsd 0005178
8.481 8.481 8.481 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  occ Biso
FeT   .125  .125  .125  .93  .84
TiT   .125  .125  .125  .07  .84
FeO     .5    .5    .5 .565  .64
MnO     .5    .5    .5  .01  .64
VO      .5    .5    .5 .005  .64
TiO     .5    .5    .5  .33  .64
CaO     .5    .5    .5 .005  .64
SiO     .5    .5    .5 .005  .64
AlO     .5    .5    .5  .03  .64
MgO     .5    .5    .5  .05  .64
O    .2599 .2599 .2599      1.04
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Magnetite
Download hom/magnetite.pdf
Stout M Z, Bayliss P
Download cm/vol18/CM18_339.pdf
The Canadian Mineralogist 18 (1980) 339-341
Crystal structure of two ferrian ulvospinels from British Columbia
Note: sample IM7
Locality: Itcha Mountain hawaiite lava flow, central British Columbia, Canada
_database_code_amcsd 0005179
8.504 8.504 8.504 90 90 90 *Fd-3m
.125 .125 .125
atom     x     y     z  occ Biso
FeT   .125  .125  .125       .92
FeO     .5    .5    .5  .55   .8
MnO     .5    .5    .5  .01   .8
VO      .5    .5    .5 .005   .8
TiO     .5    .5    .5  .37   .8
CaO     .5    .5    .5 .005   .8
SiO     .5    .5    .5 .005   .8
AlO     .5    .5    .5 .025   .8
MgO     .5    .5    .5  .03   .8
O    .2595 .2595 .2595      1.18
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Tulameenite
Download hom/tulameenite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005244
2.7477 2.7477 3.5870 90 90 90 P4/mmm
atom  x  y  z occ
Cu   .5 .5 .5  .5
Fe   .5 .5 .5  .5
Pt    0  0  0
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Ferronickelplatinum
Download hom/ferronickelplatinum.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005245
2.731 2.731 3.641 90 90 90 P4/mmm
atom  x  y  z occ
Ni   .5 .5 .5  .5
Fe   .5 .5 .5  .5
Pt    0  0  0
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Potarite
Download hom/potarite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
Note: cell edges taken from Handbook of Mineralogy
_database_code_amcsd 0005246
3.026 3.026 3.702 90 90 90 P4/mmm
atom  x  y  z
Hg    0  0  0
Pd   .5 .5 .5
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Tetraferroplatinum
Download hom/tetraferroplatinum.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005247
2.7235 2.7235 3.720 90 90 90 P4/mmm
atom  x  y  z
Fe    0  0  0
Pt   .5 .5 .5
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Tetraauricupride
Download hom/tetraauricupride.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005248
2.800 2.800 3.670 90 90 90 P4/mmm
atom  x  y  z
Au    0  0  0
Cu   .5 .5 .5
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Sobolevskite
Download hom/sobolevskite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
Note: cell edges taken from Handbook of Mineralogy
_database_code_amcsd 0005249
4.23 4.23 5.69 90 90 120 P6_3/mmc
atom   x   y   z
Bi   1/3 2/3 .25
Pd     0   0   0
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Roaldite
Download hom/roaldite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
Locality: synthetic
Note: Fe and N positions switched to match formula
Note: cell edge taken from Handbook of Mineralogy
_database_code_amcsd 0005250
3.79 3.79 3.79 90 90 90 P-43m
atom    x    y    z
Fe   .265 .265 .265
N       0    0    0
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Mgriite
Download hom/mgriite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
Locality: synthetic
_database_code_amcsd 0005251
5.758 5.758 5.758 90 90 90 Fd3m
atom x y z  occ
Se   0 0 0 .423
Cu   0 0 0 .415
As   0 0 0 .139
Fe   0 0 0 .023
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Hexatestibiopanickelite
Download hom/hexatestibiopanickelite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005252
3.983 3.983 5.339 90 90 120 P6_3/mmc
atom   x   y   z occ
Ni     0   0   0 .69
Pd     0   0   0 .31
Te   1/3 2/3 .25 .50
Sb   1/3 2/3 .25 .49
Bi   1/3 2/3 .25 .01
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Bogdanovite
Download hom/bogdanovite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005253
4.0876 4.0876 4.0876 90 90 90 Pm-3m
atom x  y  z
Au   0 .5 .5
Cu   0  0  0
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Wairauite
Download hom/wairauite.pdf
Bayliss P
Download cm/vol28/CM28_751.pdf
The Canadian Mineralogist 28 (1990) 751-755
Revised unit cell dimensions, space group,
and chemical formula of some metallic minerals
_database_code_amcsd 0005254
2.857 2.857 2.857 90 90 90 Pm-3m
atom  x  y  z
Co    0  0  0
Fe   .5 .5 .5
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Synchysite-(Ce)
Download hom/synchysitece.pdf
Wang L, Ni Y, Hughes J M, Bayliss P, Drexler J W
Download cm/vol32/CM32_865.pdf
The Canadian Mineralogist 32 (1994) 865-871
The atomic arrangement of synchysite-(Ce), CeCaF(CO3)2
Locality: Mont Saint-Hilaire, Quebec, Canada
_database_code_amcsd 0005411
12.329 7.110 18.741 90 102.68 90 C2/c
atom     x     y     z Biso
Ce1     .5 .2529   .25 1.04
Ce2  .6688 .2531 .7499 1.12
Ca1    .25   .25    .5 2.01
Ca2  .9128 .2499 .5002 1.48
C1    .973  .099  .116  1.2
C2    .397  .100  .386  1.3
C3    .289  .043  .119  1.3
O1    .435  .303 .8794  1.5
O2    .922  .071 .0490  2.2
O3    .948  .055 .1742  1.4
O4    .489  .186 .3802  1.8
O5    .607  .076 .0470  1.6
O6    .670  .052 .1723  1.3
O7    .311  .135 .1786   .9
O8    .705  .134 .8783  2.0
O9    .269  .111 .0534  1.6
F1      .5  .087   .75  1.3
F2   .8402  .087 .7733  1.1
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Stibnite
Download hom/stibnite.pdf
Bayliss P, Nowacki W
Download zk/vol135/ZK135_308.pdf
Zeitschrift fur Kristallographie 135 (1972) 308-315
Refinement of the crystal structure of stibnite, Sb2S3
_database_code_amcsd 0010729
11.3107 3.8363 11.2285 90 90 90 Pnma
atom     x   y     z B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Sb1  .0293 .25 .3261  .0030  .0144  .0025      0  .0006      0
Sb2  .1495 .75 .0360  .0027  .0230  .0036      0  .0013      0
S1   .0497 .25 .8769  .0032  .0180  .0027      0  .0004      0
S2   .1251 .75 .4386  .0035  .0177  .0024      0  .0008      0
S3   .2079 .25 .1917  .0031  .0267  .0023      0  .0002      0
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Cattierite
Download hom/cattierite.pdf
Pratt J L, Bayliss P
Download zk/vol150/ZK150_163.pdf
Zeitschrift fur Kristallographie 150 (1979) 163-167
Crystal-structure refinement of cattierite
Locality: Shinkolobwe Mine, Katanga, Zaire
Note: pyrite structure
_database_code_amcsd 0010814
5.5387 5.5387 5.5387 90 90 90 Pa3
atom     x     y     z occ Biso
Co       0     0     0 .80  .38
Fe       0     0     0 .11  .38
Ni       0     0     0 .09  .38
S    .3900 .3900 .3900      .46
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Gersdorffite-P213
 
Bayliss P, Stephenson N C
Download mm/vol36/MM36_38.pdf
Mineralogical Magazine 36 (1967) 38-42
The crystal structure of gersdorffite
Locality: Wolfsberg, Harz, Germany
_database_code_amcsd 0014444
5.6885 5.6885 5.6885 90 90 90 P2_13
atom      x      y      z occ Biso
Ni   -.0065 -.0065 -.0065      1.4
S1    .3825  .3825  .3825      1.0
S2    .6164  .6164  .6164 .18  1.6
As2   .6164  .6164  .6164 .82  1.6
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