American Mineralogist Crystal Structure Database

24 matching records for this search.

Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 100 K
_database_code_amcsd 0004356
10.3702 8.0647 6.6400 90 92.676 90 P2_1/n
atom      x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Ag1  .31040 .23340  .57288 .01516 .01272 .02214 .01073 -.00658  .00194 -.00165
Ag2  .49642 .96855  .76015 .02510  .0464 .01153 .01732 -.01374  .00128 -.00302
Mn        0      0      .5 .00674  .0066  .0071  .0064   .0002  -.0003   .0004
Sb   .18530 .16043  .03909 .00684 .00748 .00654 .00644  .00079 -.00021  .00031
S1   .09442 .26837  .34485  .0078  .0096  .0067  .0069  -.0001   .0001   .0002
S2   .51780 .67229  .66814  .0078  .0081  .0087  .0065   .0007  -.0004   .0006
S3   .26500 .41764 -.11521  .0080  .0080  .0070  .0090  -.0015  -.0001   .0005
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 300 K
_database_code_amcsd 0004357
10.3861 8.1108 6.6630 90 92.639 90 P2_1/n
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1   .30710 .24815  .57129 .04309 .03112  .0704 .02837 -.01957 .00785 -.00721
Ag2   .49587 .97000  .76079 .06270  .1105  .0302  .0476  -.0348  .0056 -.01010
Mn         0      0      .5 .01673  .0168  .0178  .0157   .0005 .00148  .00025
Sb   .184035 .16448  .03847 .01579 .01591 .01611 .01541  .00237 .00141  .00059
S1    .09171 .26901  .34369 .01627  .0197  .0146  .0147   .0009  .0023   .0010
S2    .51791 .67354  .66932 .01590  .0154  .0184  .0139   .0008 .00080   .0018
S3    .26400 .42128 -.11123 .01807  .0157  .0167  .0219  -.0029  .0008   .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 300 K, refined using Gram-Charlier displacement factors
_database_code_amcsd 0004358
10.3861 8.1108 6.6630 90 92.639 90 P2_1/n
atom       x      y       z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1    .3080  .2438   .5723 .04309 .03112  .0704 .02837 -.01957 .00785 -.00721
Ag2    .5014  .9660   .7626 .06270  .1105  .0302  .0476  -.0348  .0056 -.01010
Mn         0      0      .5 .01673  .0168  .0178  .0157   .0005 .00148  .00025
Sb   .184035 .16448  .03847 .01579 .01591 .01611 .01541  .00237 .00141  .00059
S1    .09171 .26901  .34369 .01627  .0197  .0146  .0147   .0009  .0023   .0010
S2    .51791 .67354  .66932 .01590  .0154  .0184  .0139   .0008 .00080   .0018
S3    .26400 .42128 -.11123 .01807  .0157  .0167  .0219  -.0029  .0008   .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 400 K
_database_code_amcsd 0004359
10.3838 8.1364 6.6737 90 92.640 90 P2_1/n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1  .30561  .2533 .57050  .0597  .0425  .0982  .0392 -.0263  .0101 -.0106
Ag2   .4960 .97038  .7609  .0822  .1404  .0414  .0647 -.0455  .0051 -.0142
Mn        0      0     .5  .0220  .0208  .0239  .0214  .0000  .0006  .0002
Sb   .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066
S1   .09021 .26934 .34277  .0222  .0264  .0211  .0192  .0012  .0026  .0021
S2   .51847 .67407 .67019  .0214  .0209  .0241  .0190  .0013  .0005  .0025
S3   .26330 .42261 -.1099  .0241  .0209  .0225  .0288 -.0040 -.0004  .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Samsonite
Download hom/samsonite.pdf
Bindi L, Evain M
Download am/vol92/AM92_886.pdf
American Mineralogist 92 (2007) 886-891
Gram-Charlier development of the atomic displacement factors into mineral
structures: The case of samsonite, Ag4MnSb2S6
Locality: St. Andreasberg, Hartz Mountains, Germany
Sample: T = 400 K, refined using Gram-Charlier displacement factors
_database_code_amcsd 0004360
10.3838 8.1364 6.6737 90 92.640 90 P2_1/n
atom      x      y      z   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1   .3055  .2507  .5723  .0597  .0425  .0982  .0392 -.0263  .0101 -.0106
Ag2   .5001  .9647  .7622  .0822  .1404  .0414  .0647 -.0455  .0051 -.0142
Mn        0      0     .5  .0220  .0208  .0239  .0214  .0000  .0006  .0002
Sb   .18327 .16638 .03790 .02142 .02068 .02229 .02127 .00301 .00091 .00066
S1   .09021 .26934 .34277  .0222  .0264  .0211  .0192  .0012  .0026  .0021
S2   .51847 .67407 .67019  .0214  .0209  .0241  .0190  .0013  .0005  .0025
S3   .26330 .42261 -.1099  .0241  .0209  .0225  .0288 -.0040 -.0004  .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download cm/vol45/CM45_321.pdf
The Canadian Mineralogist 45 (2007) 321-333
Complex twinning, polytypism and disorder phenomena in the crystal structures
of antimonpearceite and arsenpolybasite
Locality: Eagle mine, Colorado, USA
Sample: T = 330 K
Note: mineral name has been changed from antimonpearceite
Note: this is type pearceite-Tac
_database_code_amcsd 0006140
7.4805 7.4805 11.8836 90 90 120 P-3m1
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ag1  .14879  .2976 .38289  .66  .0584  .0457  .0728  .0658  .0364  -.0022 -.0045
Cu1  .14879  .2976 .38289  .34  .0584  .0457  .0728  .0658  .0364  -.0022 -.0045
Ag2    .196  .3651  .1206 .411   .461    .84  .0507  .0482  -.111   -.019  .0059
Ag3   .3740  .2792  .1168 .339   .120   .086   .197   .056   .055  -.0025  -.046
Cu2       0      0      0       .0314  .0392  .0392  .0158  .0196       0      0
Sb      2/3    1/3 .41180 .923 .02462 .02671 .02671  .0205 .01335       0      0
As      2/3    1/3 .41180 .077 .02462 .02671 .02671  .0205 .01335       0      0
S1        0      0 .18171       .0288  .0354  .0354  .0157  .0177       0      0
S2   .50432 .00864 .31065       .0301  .0297  .0223  .0358 .01113 -.00027 -.0005
S3      1/3    2/3  .0153       .0448  .0454  .0454  .0435  .0227       0      0
S4        0  .0798     .5  1/6  .0334
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download cm/vol45/CM45_321.pdf
The Canadian Mineralogist 45 (2007) 321-333
Complex twinning, polytypism and disorder phenomena in the crystal structures
of antimonpearceite and arsenpolybasite
Locality: St. Joachimsthal, Bohemia, Czech Republic
Sample: 221
Note: mineral name has been changed from arsenpolybasite
Note: this is type pearceite-T2ac
_database_code_amcsd 0006141
14.9746 14.9746 11.9982 90 90 120 P321
atom       x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1   .36371 .42908 .10401      .0389  .0413  .0360  .0419  .0213  .0095  .0013
Ag2   .09037 .42152 .13506 .813 .0500  .0301  .0439  .0561  .0035 -.0111  .0027
Cu2'   .0904  .4215  .1351 .187 .0500  .0301  .0439  .0561  .0035 -.0111  .0027
Ag3   .07803 .15006 .11754 .869 .0569  .0440  .0753  .0617  .0376  .0039  .0053
Cu3'    .078  .1501  .1175 .131 .0569  .0440  .0753  .0617  .0376  .0039  .0053
Ag4   .57112 .41821 .11501      .0506  .0427  .0389  .0534  .0079 -.0022  .0038
Ag5   .34634 .54688 .39198      .0446  .0425  .0531  .0407  .0259 -.0029 -.0121
Ag6   .26987 .06958 .39070      .0580  .0954  .0504  .0362  .0424 -.0137 -.0116
Ag7   .13407 .17634 .37296      .0574  .0787  .0273  .0490  .0137 -.0193 -.0020
Ag8   .52522 .16860 .37615      .0695  .1253  .0327  .0400  .0316 -.0082  .0020
Ag9   .10038 .42134 .39254      .0448  .0574  .0471  .0497  .0410 -.0171 -.0108
Ag10  .38282 .30734 .36580      .0875  .1442  .0266  .0342 -.0004  .0055  .0026
Cu1        0 .51201     .5      .0251  .0306  .0300  .0149  .0153 -.0011 -.0006
Cu2        0      0     .5      .0331  .0407  .0407  .0179  .0204      0      0
As1      1/3    2/3 .09980      .0204  .0218  .0218  .0175  .0109      0      0
As2   .33359 .16003 .09832      .0189  .0201  .0195  .0166  .0096  .0007 -.0001
S1     .2715  .5150  .1906      .0238  .0215  .0208  .0303  .0115  .0012 -.0026
S2   -.01023  .2402  .1981      .0264  .0157  .0278  .0301  .0068 -.0012  .0001
S3     .2618  .2468  .1777      .0266  .0281  .0273  .0305  .0184  .0010  .0001
S4     .4839  .2415  .1922      .0267  .0209  .0203  .0369  .0087 -.0037  .0021
S5     .4938 .50125 .32031      .0226  .0301  .0202  .0149  .0106  .0019 -.0006
S6         0      0  .3201      .0237  .0270  .0270  .0171  .0135      0      0
S7     .1953  .3430 .46279      .0274  .0335  .0264  .0256  .0175 -.0029 -.0016
S8       1/3    2/3  .5393      .0306  .0327  .0327   .026  .0163      0      0
S9     .5324  .5324      0      .0529  .0497  .0497  .0270   .001 -.0022  .0022
S10    .0248  .0248      0  1/3  .070   .060   .060   .036  -.010  -.025   .025
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download cm/vol45/CM45_321.pdf
The Canadian Mineralogist 45 (2007) 321-333
Complex twinning, polytypism and disorder phenomena in the crystal structures
of antimonpearceite and arsenpolybasite
Locality: Freiberg, Germany
Sample: 222
Note: mineral name has been changed from arsenpolybasite
Note: This is type pearceite-M2a2b2c
_database_code_amcsd 0006142
26.036 15.0319 24.042 90 90.000 90 C2/c
atom      x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
Ag1  .03356  .14478  .05354      .0407  .0356  .0397  .0467 -.0062  -.0072  .0066
Ag2  .04409  .36395  .06653      .0479  .0288  .0595  .0554  .0071  -.0053  .0008
Ag3  .04448  .62225  .06430 .916 .0604  .0402  .0766  .0644 -.0252  -.0138  .0267
Cu3' .04458  .62225  .06430 .084 .0604  .0402  .0766  .0644 -.0252  -.0138  .0267
Ag4  .03192  .85960  .05493      .0417  .0351  .0411  .0487  .0050  -.0056 -.0077
Ag5  .16076  .00213  .06933 .929 .0505  .0714  .0252  .0552  .0014   .0295 -.0018
Cu5' .16076  .00213  .06933 .071 .0505  .0714  .0252  .0552  .0014   .0295 -.0018
Ag6  .18442  .49998  .05078      .0352  .0366  .0325  .0364 -.0004   .0116 -.0001
Ag7  .28741  .10329  .05266      .0383  .0338  .0364  .0446  .0060  -.0023 -.0097
Ag8  .28577  .37499  .06294      .0457  .0396  .0453  .0522 -.0155   .0016  .0078
Ag9  .29077  .63252  .06172 .941 .0596  .0535  .0659  .0593  .0328  -.0106 -.0232
Cu9' .29077  .63252  .06172 .059 .0596  .0535  .0659  .0593  .0328  -.0106 -.0232
Ag10 .28734  .89735  .05653      .0402  .0327  .0389  .0490 -.0055  -.0045  .0085
Ag11 .42857  .25102  .05590      .0473  .0573  .0320  .0525 -.0028   .0034 -.0002
Ag12 .41678  .74641  .06010      .0657  .1095  .0289  .0590 -.0052   .0117  .0031
Ag13 .16044  .00663  .19801      .0459  .0216  .0657  .0506 -.0063   .0063 -.0136
Ag14 .34579  .02325  .18229      .0859  .0254  .1977  .0347 -.0119  -.0019 -.0022
Ag15 .46263  .00806  .19693      .0495  .0430  .0726  .0330  .0118   .0099  .0071
Ag16 .09995  .19356  .19867      .0472  .0474  .0522  .0421  .0072  -.0088 -.0123
Ag17 .22640  .17523  .19588      .0452  .0557  .0416  .0384 -.0002   .0116 -.0033
Ag18 .41216  .20300  .18558      .0540  .0256  .0900  .0463 -.0014   .0018  .0167
Ag19 .05164  .37683  .19673      .0409  .0511  .0263  .0452 -.0132  -.0142  .0024
Ag20 .17326  .37439  .19283      .0437  .0436  .0494  .0381 -.0033   .0008  .0091
Ag21 .28943  .36069  .19433      .0460  .0483  .0373  .0524  .0210   .0098  .0129
Ag22 .39990  .41778  .19354      .0574  .0626  .0752  .0346 -.0245   .0012 -.0111
Ag23 .06335  .63587  .18914      .0531  .0672  .0387  .0533  .0251  -.0201 -.0074
Ag24 .18965  .63290  .18610      .0699  .1107  .0665  .0323  .0576  -.0054 -.0078
Ag25 .31689  .60230  .19004      .0700  .0988  .0728  .0384 -.0557   .0152 -.0076
Ag26 .46399  .59426  .18455      .0758  .1439  .0488  .0348 -.0536  -.0087  .0062
Ag27 .01927  .90582  .18457      .0574  .0786  .0428  .0509 -.0298   .0147 -.0124
Ag28 .13125  .81215  .19650      .0614  .1067  .0421  .0354  .0098  -.0132  .0053
Ag29 .25823  .84371  .19034      .0812  .1531  .0500  .0402  .0503  -.0172 -.0109
Ag30 .41478  .80609  .18661      .0559  .0299  .0995  .0384  .0095  -.0024  .0061
Cu1       0  .23864     .25      .0235  .0282  .0289  .0135      0  -.0014      0
Cu2       0  .75232     .25      .0327  .0413  .0406  .0162      0   .0000      0
Cu3  .24348  .50459  .24966      .0242  .0285  .0296  .0145 -.0006   .0003  .0019
As1  .16645  .24708  .04970 .930 .0195  .0201  .0195  .0190 -.0001  -.0004 -.0005
Sb1' .16645  .24708  .04970 .070 .0195  .0201  .0195  .0190 -.0001  -.0004 -.0005
As2  .16620  .75572  .05088 .931 .0200  .0212  .0203  .0186  .0007  -.0008  .0006
Sb2' .16620  .75572  .05088 .069 .0200  .0212  .0203  .0186  .0007  -.0008  .0006
As3  .41985 -.00414  .05004 .901 .0198  .0197  .0205  .0193 -.0002   .0009 -.0018
Sb3' .41985 -.00414  .05004 .099 .0198  .0197  .0205  .0193 -.0002   .0009 -.0018
As4  .41230  .49968  .05034      .0175  .0183  .0173  .0170  .0004  -.0017 -.0004
S1   .12189  .14351  .09778      .0231  .0221  .0175  .0296 -.0024   .0026 -.0004
S2   .13555  .37008  .09207      .0218  .0193  .0171  .0289  .0000   .0022  .0016
S3   .24279  .23817  .09531      .0220  .0170  .0196  .0293 -.0007   .0007 -.0006
S4   .13607  .63134  .09189      .0234  .0218  .0175  .0309 -.0017   .0004  .0012
S5   .12198  .85957  .10001      .0222  .0182  .0228  .0258  .0033   .0003  .0016
S6   .24214  .75954  .09680      .0241  .0180  .0198  .0343  .0002  -.0017 -.0021
S7   .49319 -.00210  .10211      .0230  .0165  .0266  .0260  .0012  -.0004 -.0003
S8   .37853  .11319  .08794      .0232  .0230  .0159  .0308  .0020  -.0040 -.0020
S9   .37997  .38082  .09695      .0246  .0262  .0186  .0291 -.0042  -.0009  .0000
S10  .49259  .50245  .08778      .0233  .0185  .0238  .0278 -.0002   .0003  .0030
S11  .38047  .61128  .10335      .0247  .0215  .0214  .0313  .0019   .0038 -.0051
S12  .37612  .88934  .09639      .0246  .0225  .0185  .0328 -.0036  -.0029  .0047
S13  .23004  -.0038 -.00040      .0361  .0273  .0575  .0235 -.0035  -.0023  .0010
S14  .49211   .7730  .00161      .0529   .085  .0443  .0293  .0132  -.0044 -.0057
S15  .07378  .01467  .23222      .0270  .0200  .0350  .0260 -.0039   .0007 -.0030
S16  .24874  .00795  .16090      .0228  .0198  .0334  .0151  .0017   .0001 -.0009
S17  .00330  .24723  .16047      .0223  .0264  .0259  .0147 -.0039   .0021  .0004
S18  .32881  .22833  .22997      .0262  .0265  .0268  .0254  .0057   .0016  .0038
S19  .09980  .50260  .23060      .0253  .0303  .0217  .0239 -.0017  -.0010  .0002
S20  .24643  .49580  .15991      .0214  .0284  .0210  .0150  .0020  -.0006  .0001
S21  .00032  .74878  .16020      .0228  .0245  .0241  .0196  .0014  -.0024  .0014
S22  .33248  .75324  .23170      .0291  .0312  .0317  .0244 -.0040   .0004  .0002
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
beta-Cu7PSe6
 
Gaudin E, Boucher F, Petricek V, Taulelle F, Evain M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=402
Acta Crystallographica B56 (2000) 402-408
Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
ionic conductors. II. beta- and gamma-Cu7PSe6
Note: T = 293 K
_database_code_amcsd 0009919
10.1080 10.1080 10.1080 90 90 90 P2_13
atom      x      y      z occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
P     .7485  .7485  .7485     .0103  .0103  .0103  .0103 -.0002 -.0002 -.0002
Se1a .87477 .87477 .87477     .0148  .0148  .0148  .0148 -.0026 -.0026 -.0026
Se1b .37079 .37645 .88083     .0134  .0132  .0145  .0124 -.0026 -.0018 -.0029
Se2  .23601 .23601 .23601     .0210  .0210   .021   .021  .0022  .0022  .0022
Se3  .49079 .49079 .49079     .0221  .0221  .0221  .0221  .0041  .0041  .0041
Cu1   .0720 -.0892 -.2696     .0463  .0316  .0495  .0579  .0003  .0025 -.0029
Cu2a  .0024  .0034  .2795 .68  .059   .077   .080  .0213   .005   .010   .056
Cu2b  .0636  .0578  .2639 .32  .032   .036   .032   .028  -.003   .004   .005
Cu3   .3608  .3608  .3608      .199   .199   .199   .199  -.088  -.088  -.088
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
gamma-Cu7PSe6
 
Gaudin E, Boucher F, Petricek V, Taulelle F, Evain M
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=56&spage=402
Acta Crystallographica B56 (2000) 402-408
Structures and phase transitions of the A7PSe6 (A = Ag, Cu) argyrodite-type
ionic conductors. II. beta- and gamma-Cu7PSe6
Note: T = 353 K
_database_code_amcsd 0009920
10.1130 10.1130 10.1130 90 90 90 F-43m
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
P       .75    .75    .75       .0098  .0098  .0098  .0098       0       0       0
Se1  .87576 .87576 .87576      .01623 .01622 .01622 .01622 -.00362 -.00362 -.00362
Se2     .25    .25    .25       .0330  .0330   .033   .033       0       0       0
Se3      .5     .5     .5       .0273  .0273  .0273  .0273       0       0       0
Cu1   .0787  .0787  .2673 .314  .0511  .0479  .0479   .057  -.0008  -.0008    .004
Cu2    .016   .016  .2757 .179   .068    .09    .09   .030   -.019   -.019     .06
Cu3   .1286  .1286  .3714  .27   .243    .24    .24    .24   -.101   -.101   -.101
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=212
Acta Crystallographica B62 (2006) 212-219
Temperature dependence of the silver distribution in the
crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11
Sample: T = 15 K
Locality: Clara mine, Black Forest, Germany
_database_code_amcsd 0009933
7.3890 7.3890 11.816 90 90 120 P-3m1
atom       x       y       z   occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As       1/3     2/3  .40976  .596 .0144  .0148  .0148  .0138  .0074      0      0
Sb       1/3     2/3 .409764  .404 .0144  .0148  .0148  .0138  .0074      0      0
Ag1    .2989  .14946  .38540  .538 .0301  .0418  .0237  .0310  .0209 -.0223 -.0112
Cu1  .298921 .149461 .385401  .462 .0301  .0418  .0237  .0310  .0209 -.0223 -.0112
Ag2    .3606   .2215   .1239  .152 .0175
Ag3    .3341   .3675   .1109  .225 .0346
Ag4    .4475   .5525   .1133 .1057  .069   .084   .084   .020   .027  -.012   .012
Ag5    .3568   .2954   .1228  .102 .0162
Ag6     .251   .3821   .1211  .218  .050   .095  .0240  .0192  .0223  -.020 -.0039
Cu2        0       0       0       .0195  .0252  .0252  .0082  .0126      0      0
S1         0       0   .1829       .0208  .0251  .0251  .0123  .0125      0      0
S2     .0152  .50762  .31195       .0204  .0175  .0199  .0230  .0087  .0022  .0011
S3       2/3     1/3   .0210       .0358  .0409  .0409  .0254  .0205      0      0
S4     .0861       0      .5   1/6  .018   .015   .029   .014   .014  .0000   .000
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=212
Acta Crystallographica B62 (2006) 212-219
Temperature dependence of the silver distribution in the
crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11
Sample: T = 120 K
Locality: Clara mine, Black Forest, Germany
_database_code_amcsd 0009934
7.3721 7.3721 11.8104 90 90 120 P-3m1
atom      x      y      z   occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As      1/3    2/3 .40833 .5896 .01518 .01564 .01564 .0142  .00782      0      0
Sb      1/3    2/3 .40833 .4104 .01518 .01564 .01564 .0142  .00782      0      0
Ag1  .29992 .14996 .38548 .6724  .0361  .0493  .0274 .0387   .0247 -.0156 -.0078
Cu1  .29992 .14996 .38548 .3276  .0361  .0493  .0274 .0387   .0247 -.0156 -.0078
Ag2   .3567   .226 .12401  .324   .263  .0224    .50 .0230   -.055  .0021  -.003
Ag3   .2857  .3745  .1160  .376  .0674   .106  .0315 .0310   .0092 -.0249 -.0007
Ag4   .4538  -.092  .1137  .101   .083   .105   .130  .021    .065 -.0100  -.020
Cu2       0      0      0        .0191  .0243  .0243 .0086  .01216      0      0
S1        0      0 .18297        .0192  .0241  .0241 .0095   .0120      0      0
S2   .01678 .50839 .31254        .0191  .0159  .0186 .0219  .00796  .0032 .00161
S3      2/3    1/3  .0206        .0346  .0378  .0378 .0282   .0189      0      0
S4    .0853      0     .5   1/6  .0179  .0138   .029 .0162   .0144 -.0018 -.0035
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Pearceite
Download hom/pearceite.pdf
Bindi L, Evain M, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=212
Acta Crystallographica B62 (2006) 212-219
Temperature dependence of the silver distribution in the
crystal structure of natural pearceite, (Ag,Cu)16(As,Sb)2S11
Sample: T = 300 K
Locality: Clara mine, Black Forest, Germany
_database_code_amcsd 0009935
7.3876 7.3876 11.8882 90 90 120 P-3m1
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As      1/3    2/3 .40748 .590 .02317  .0242  .0242  .0211 .01210      0      0
Sb      1/3    2/3 .40748 .410 .02317  .0242  .0242  .0211 .01210      0      0
Ag1   .3009 .15043 .38526 .672  .0528  .0676  .0404  .0596  .0338 -.0021 -.0011
Cu1   .3009 .15043 .38526 .328  .0528  .0676  .0404  .0596  .0338 -.0021 -.0011
Ag2   .3566   .240  .1233 .366   .345  .0388    .62  .0447  -.082  .0064  -.018
Ag3   .2921  .3808  .1174 .384   .119   .194   .110  .0490   .072 -.0287  .0002
Cu2       0      0      0       .0282  .0350  .0350  .0148  .0175      0      0
S1        0      0 .18164       .0267  .0324  .0324  .0154  .0162      0      0
S2   .01656 .50828 .31324       .0269  .0219  .0251  .0325  .0109  .0009 .00045
S3      2/3    1/3  .0174       .0428  .0437  .0437  .0411  .0219      0      0
S4        0      0     .5        .114   .157   .157   .028  .0787      0      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)
 
Polybasite
Download hom/polybasite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=447
Acta Crystallographica B62 (2006) 447-456
Structural compexity in minerals: twinning, polytypism and disorder
in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11
Sample: T = 100 K
Sample: polytype 222
Note: used to be called polybasite-222, now called polybasite-M2a2b2c
Locality: Hidalgo, Mexico
_database_code_amcsd 0009937
26.188 15.1199 23.784 90 90.0 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)
Sb1   .16691  .24468 .043172       .00956  .0107  .0090 .00900 -.00039 .00115  .00059
Sb2   .16495  .75956  .04531       .00994  .0117 .00890 .00920 -.00008 .00150  .00023
Sb3   .42279 -.00463  .04458       .00930 .01021  .0092 .00850  .00040 .00135 -.00093
Sb4   .41010  .50144  .04556       .00909 .01014 .00880 .00834 -.00010 .00106 -.00067
Ag1   .03265  .15019  .05067       .01525  .0145  .0157  .0156  -.0025 -.0003   .0005
Ag2   .04411  .35807  .06687       .02130  .0128  .0251  .0261   .0018  .0000   .0072
Ag3   .04367  .62582  .07179 .629   .0183  .0155  .0192  .0201  -.0052  .0004   .0038
Cu3   .04367  .62582  .07179 .371   .0183  .0155  .0192  .0201  -.0052  .0004   .0038
Ag4   .02949  .86029  .05571       .01601  .0137  .0173  .0170   .0017  .0003   .0006
Ag5   .16341  .00236  .07795       .01789  .0214  .0120  .0202   .0008  .0061  -.0007
Ag6   .18568  .50214  .04781       .01345  .0141  .0140  .0122   .0004 .00375   .0001
Ag7   .28893  .10133  .05286       .01352  .0133  .0123  .0149  .00038  .0027 -.00264
Ag8   .28366  .37619  .06492       .01808  .0170  .0135  .0237  -.0031  .0055   .0001
Ag9   .28776  .62742  .06453       .02113  .0226  .0198  .0209   .0098  .0012  -.0030
Ag10  .28782  .90120  .05781       .01542  .0144  .0143  .0175  -.0001  .0011   .0032
Ag11  .43191  .25277  .05661       .01649  .0183  .0121  .0191  -.0023 -.0008   .0016
Ag12  .41473  .74569  .06274        .0292  .0542  .0129  .0204  -.0067  .0004   .0032
Ag13  .16136  .00334  .20404       .01731  .0103  .0233  .0183  -.0039  .0046  -.0056
Ag14  .34606  .02735  .17942        .0278  .0102  .0612  .0119  -.0024 -.0004   .0029
Ag15  .46076  .00332  .19763       .01657  .0142  .0236  .0119   .0034 .00292   .0011
Ag16  .09979  .19379  .19995       .01964  .0208  .0207  .0174   .0053 -.0049  -.0065
Ag17  .22299  .17223  .19582       .01814  .0226  .0187  .0131   .0005  .0079  -.0004
Ag18  .41209  .20694  .18710       .01792  .0098  .0293  .0147  -.0016  .0009   .0046
Ag19  .05294  .37623  .19771       .01483  .0185  .0090  .0170 -.00400 -.0035   .0010
Ag20  .17400  .37194  .19025       .01810  .0190  .0192  .0161  -.0003  .0042   .0047
Ag21  .29031  .36252  .19557       .01846  .0186  .0140  .0228   .0071  .0050   .0052
Ag22  .40081  .42196  .19368       .01853  .0195  .0232  .0129  -.0053  .0028  -.0033
Ag23  .06107  .63423  .19347       .01860  .0239  .0135  .0184   .0080 -.0062  -.0031
Ag24  .18582  .63050  .18493       .02220  .0319  .0202  .0145   .0156 -.0016  -.0033
Ag25  .30915  .60887  .18989       .02353  .0374  .0211  .0121  -.0170  .0048  -.0019
Ag26  .46596  .59302  .18331        .0265  .0467  .0204  .0125  -.0202 -.0029   .0038
Ag27  .01979  .90541  .18484       .02073  .0315  .0144  .0163  -.0115  .0074  -.0036
Ag28  .13309  .80839  .19781       .02180  .0377  .0153  .0124   .0037 -.0027   .0013
Ag29  .25624  .84547  .19081        .0504  .1043  .0296  .0174   .0423 -.0133  -.0080
Ag30  .41597  .80262  .18696       .02007  .0112  .0371  .0119   .0036  .0000   .0022
Cu1        0  .23886     .25        .0097  .0121  .0108  .0063          .0023       0
Cu2        0  .75503     .25        .0127  .0159  .0147  .0075          .0017       0
Cu3   .24135  .50395  .24890        .0107  .0126  .0125  .0070   .0019  .0012   .0015
S1    .11844  .14076  .09828        .0124  .0121  .0121  .0130  -.0022 -.0003   .0010
S2    .13520  .37545  .08965        .0117  .0123  .0078  .0149   .0001  .0019   .0006
S3    .24561  .23559  .09666        .0096  .0095  .0097  .0095  -.0004  .0009   .0013
S4    .13478  .62719  .09082        .0125  .0176  .0083  .0115   .0006  .0021  -.0002
S5    .11857  .86442  .10367        .0135  .0123  .0132  .0151   .0035 -.0014  -.0002
S6    .24456  .76115  .09706        .0123  .0096  .0118  .0155   .0003 -.0015  -.0029
S7    .49861 -.00273  .10515        .0128  .0078  .0185  .0122   .0013  .0009  -.0023
S8    .37890  .11781  .08808        .0102  .0129  .0086  .0092   .0009  .0015   .0002
S9    .37867  .37455  .09860        .0113  .0132  .0104  .0101  -.0032 -.0013  -.0010
S10   .49477  .50546  .08729        .0099  .0071  .0096  .0129  -.0002  .0009   .0031
S11   .37878  .61442  .10859        .0133  .0146  .0100  .0154   .0019  .0018  -.0016
S12   .37553  .88766  .09824        .0127  .0145  .0103  .0134  -.0022 -.0006   .0032
S13   .22726 -.00277  .00135        .0155  .0127  .0219  .0120  -.0009 -.0004   .0008
S14   .48778  .77813 -.00040        .0278  .0401  .0262  .0172   .0170 -.0002  -.0101
S15   .07259  .01881  .23137        .0097  .0082  .0121  .0088  -.0017  .0014  -.0029
S16   .24775  .00902  .16066        .0097  .0081  .0132  .0078   .0005  .0022  -.0013
S17   .00440  .24792  .15961        .0095  .0118  .0097  .0070  -.0022  .0027   .0010
S18   .32644  .22384  .22820        .0090  .0089  .0101  .0080   .0013  .0005   .0014
S19   .10304  .50215  .22999        .0088  .0080  .0091  .0094  -.0010  .0005   .0003
S20   .24470  .49395  .15820        .0088  .0107  .0090  .0067   .0021  .0007  -.0007
S21   .00012  .74821  .15950        .0086  .0103  .0089  .0065  -.0001  .0007  -.0005
S22   .33157  .75747  .23146        .0070  .0079  .0061  .0070  -.0031  .0012  -.0009
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Polybasite
Download hom/polybasite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=447
Acta Crystallographica B62 (2006) 447-456
Structural compexity in minerals: twinning, polytypism and disorder
in the crystal structure of polybasite, (Ag,Cu)16(Sb,As)2S11
Sample: T = 120 K
Sample: polytype 221
Note: used to be called polybasite-221, now called polybasite-T2ac
Locality: Hidalgo, Mexico
_database_code_amcsd 0009938
15.0954 15.0954 11.8825 90 90 120 P321
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      1/3    2/3 .08748      .0129  .0137  .0137  .0113 .00687       0       0
Sb2   .33285 .15587 .08778      .0112 .01299 .01127 .01014 .00659  .00027 -.00019
Ag1   .36661 .42990 .10137      .0184  .0181  .0194  .0193  .0105  .00089 -.00345
Ag2   .09007 .42358 .14418 .785 .0247  .0138  .0230  .0316  .0048  -.0045  -.0058
Cu2   .09007 .42358 .14418 .215 .0247  .0138  .0230  .0316  .0048  -.0045  -.0058
Ag3   .07708 .14671 .12156 .895 .0403  .0288  .0515  .0477  .0255   .0144   .0267
Cu3   .07708 .14671 .12156 .105 .0403  .0288  .0515  .0477  .0255   .0144   .0267
Ag4   .56682 .41741 .11845      .0213  .0193  .0160  .0216  .0035  .00119  .00045
Ag5   .34923 .55037 .39194      .0234  .0232  .0263  .0216  .0131 -.00162  -.0077
Ag6   .27335 .07446 .39259      .0244  .0368  .0220  .0172  .0168  -.0034 -.00234
Ag7   .13137 .17613 .37640      .0260  .0350  .0117  .0220  .0046  -.0083  .00048
Ag8   .52806 .16567 .37649      .0393  .0769  .0152  .0165  .0160  -.0053   .0005
Ag9   .09891 .41993 .39861      .0215  .0273  .0215  .0245  .0187  -.0080 -.00499
Ag10  .37973 .30736 .36194      .0400  .0683  .0127  .0174  .0040  -.0015  .00146
Cu1        0 .51322     .5      .0121  .0155  .0136  .0077  .0078  -.0011 -.00057
Cu2        0      0     .5      .0153  .0185  .0185  .0088  .0092       0       0
S1    .26964 .50882 .19090      .0137  .0146  .0115  .0160  .0073  -.0001  -.0009
S2   -.00297 .24192 .20453      .0166  .0110  .0227  .0160  .0084   .0006   .0013
S3    .26011 .24957 .17635      .0149  .0191  .0170  .0138  .0130   .0022   .0018
S4    .48834 .24179 .19616      .0150  .0111  .0114  .0218  .0050  -.0013   .0008
S5    .49297 .50299 .31858      .0110  .0135  .0109  .0086  .0061   .0007   .0012
S6         0      0  .3189      .0101  .0108  .0108  .0087  .0054       0       0
S7    .20146 .34647 .46132      .0121  .0162  .0118  .0102  .0085  -.0030  -.0014
S8       1/3    2/3  .5400      .0102  .0099  .0099  .0107  .0050       0       0
S9    .53714 .53714      0      .0335  .0265  .0265  .0219 -.0058  -.0102   .0102
S10    .0323  .0323      0  1/3  .050   .039   .039   .027  -.014   -.020    .020
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Antimonpearceite
Download hom/antimonpearceite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=768
Acta Crystallographica B62 (2006) 768-774
Structure and phase transition of the Se-rich variety of antimonpearceite,
[(Ag,Cu)6(Sb,As)2(S,Se)7]-[Ag9Cu(S,Se)2Se2]
Locality: De Lamar mine, Idaho, USA
Sample: T = 300 K
_database_code_amcsd 0009942
7.5950 7.5950 12.0731 90 90 120 P-3m1
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Sb      1/3    2/3 .40561  .83 .02348  .0243  .0243  .0219 .01213      0      0
As      1/3    2/3 .40561  .17 .02348  .0243  .0243  .0219 .01213      0      0
Ag1a  .2851  .1426  .3899  .68  .0526  .0588  .0501  .0518  .0294  .0033  .0017
Ag1b   .351  .1753  .3629  .25   .073   .105  .0514   .080  .0527   .050   .025
Cu1b   .351  .1753  .3629  .07   .073   .105  .0514   .080  .0527   .050   .025
Ag2   .2458  .3649  .1190 .296   .163   .267  .0379  .0549  -.019  -.050  .0044
Ag3   .3528  .3128  .1187 .454   .157   .079   .289   .069   .066  .0046  -.021
Cu        0      0      0       .0313  .0387  .0387  .0166  .0193      0      0
S1        0      0 .18217 .830  .0312  .0366  .0366  .0205  .0183      0      0
Se1       0      0 .18217 .170  .0312  .0366  .0366  .0205  .0183      0      0
S2    .0146 .50730 .30757       .0381  .0214  .0387  .0485  .0107 -.0036 -.0018
S3        0      0     .5  .68   .117   .152   .152   .047   .076      0      0
Se3       0      0     .5  .32   .117   .152   .152   .047   .076      0      0
Se      2/3    1/3  .0178       .0466  .0455  .0455  .0487  .0227      0      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)
 
Antimonpearceite
Download hom/antimonpearceite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=768
Acta Crystallographica B62 (2006) 768-774
Structure and phase transition of the Se-rich variety of antimonpearceite,
[(Ag,Cu)6(Sb,As)2(S,Se)7]-[Ag9Cu(S,Se)2Se2]
Locality: De Lamar mine, Idaho, USA
Sample: T = 120 K
_database_code_amcsd 0009943
13.1426 7.5879 23.729 90 90.0 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)
Sb1  .41934 .74224 .049318      .01186 .01258  .0116 .01137 -.00013  .00045 -.00031
Sb2  .08565 .76029 .454154      .01168 .01123 .01222 .01160  .00015  .00046 -.00029
Ag1  .40458 .23826  .05653      .02470  .0347  .0156  .0237   .0030   .0024  -.0003
Ag2  .10006 .27073  .44361      .02431  .0303  .0155  .0271  -.0015   .0067  -.0015
Ag3  .31297 .44364  .45025      .02174  .0174  .0275  .0203  -.0008   .0019   .0011
Ag4  .34464 .99558  .43481 .787  .0301  .0206  .0418  .0279  -.0093   .0058   .0018
Cu4' .34464 .99558  .43481 .213  .0301  .0206  .0418  .0279  -.0093   .0058   .0018
Ag5  .15689 .51196  .07541 .904  .0438  .0181  .0400  .0734  -.0085   .0008   .0160
Cu5' .15689 .51196  .07541 .096  .0438  .0181  .0400  .0734  -.0085   .0008   .0160
Ag6  .18494 .04946  .05407      .02094  .0184  .0252  .0192  -.0017   .0024   .0011
Ag7  .12076 .00255  .29899      .02549  .0347  .0175  .0242  -.0096   .0118  -.0063
Ag8  .06548 .41819  .30819      .02599  .0190  .0333  .0256  -.0049   .0022  -.0083
Ag9  .05475 .25450  .19192      .02861  .0132  .0549  .0178   .0015  .00045  -.0019
Ag10 .24196 .92516  .19837       .0356  .0616  .0205  .0248  -.0165   .0193  -.0060
Ag11 .33018 .54218  .18872      .02807  .0494  .0185  .0162  -.0152   .0062  -.0015
Ag12 .24120 .65338  .30401      .02619  .0244  .0337  .0205  -.0052  -.0049   .0024
Ag13 .41747 .14844  .18436      .02990  .0134  .0470  .0294   .0080  -.0021  -.0017
Ag14 .41476 .40030  .30465      .02381  .0179  .0277  .0258  -.0072   .0020  -.0061
Ag15 .35615 .01474  .31001      .02283  .0314  .0161  .0210   .0094  -.0001  -.0015
Cu1  .23980 .26900  .24997      .01036  .0090  .0145  .0076  -.0010  -.0005   .0002
S1   .23947 .26011  .15720 .820  .0126  .0117  .0153  .0107  -.0002   .0010  -.0013
Se1  .23947 .26011  .15720 .180  .0126  .0117  .0153  .0107  -.0002   .0010  -.0013
S2   .24226 .26472  .34245 .813  .0124  .0130  .0125  .0118   .0005   .0002   .0013
Se2  .24226 .26472  .34245 .187  .0124  .0130  .0125  .0118   .0005   .0002   .0013
S3   .26031  .7756  .09869       .0151  .0105  .0218  .0131   .0003  -.0002   .0024
S4   .24809  .7270  .40769       .0147  .0102  .0186  .0151   .0004   .0014  -.0008
S5   .48649  .5068  .10716       .0159  .0164  .0115  .0199  -.0003  -.0009   .0035
S6   .49279  .4862  .40685       .0129  .0122  .0112  .0153   .0002   .0008  -.0004
S7   .00299  .0217  .09274       .0140  .0129  .0134  .0158   .0044   .0031   .0020
S8   .02061 -.0054  .39546       .0152  .0171  .0126  .0158   .0030  -.0006   .0027
S9   .24653  .3317  .00287 .737  .0365  .0717  .0198  .0180  -.0005  -.0179  -.0002
Se9  .24653  .3317  .00287 .263  .0365  .0717  .0198  .0180  -.0005  -.0179  -.0002
Se10 .42892 .75709  .25433      .01342  .0148  .0102  .0153  -.0002   .0016  -.0007
Se11 .08817 .71500  .23224      .01485  .0109  .0188  .0150  -.0018  -.0013   .0028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Antimonpearceite
Download hom/antimonpearceite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=768
Acta Crystallographica B62 (2006) 768-774
Structure and phase transition of the Se-rich variety of antimonpearceite,
[(Ag,Cu)6(Sb,As)2(S,Se)7]-[Ag9Cu(S,Se)2Se2]
Note: T = 300 K
Locality: De Lamar mine, Idaho, USA
_database_code_amcsd 0020663
7.5950 7.5950 12.0731 90 90 120 P-3m1
atom      x      y      z  occ   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
Ag1a  .2851  .1426  .3899  .68  .0526  .0588  .0501  .0518   .0294  .0033   .0017
Ag1b  .3505  .1753  .3629  .25   .073   .105  .0514   .080   .0527   .050    .025
Cu1b' .3505  .1753  .3629  .07   .073   .105  .0514   .080   .0527   .050    .025
Ag2   .2458  .3649  .1190 .296   .163   .267  .0379  .0549   -.019  -.050   .0044
Ag3   .3528  .3128  .1187 .454   .157   .079   .289   .069    .066  .0046   -.021
Cu        0      0      0       .0313  .0387  .0387  .0166   .0193      0       0
Sb      1/3    2/3 .40561  .83 .02348  .0243  .0243  .0219  .01213      0       0
As'     1/3    2/3 .40561  .17 .02348  .0243  .0243  .0219  .01213      0       0
S1        0      0 .18217 .830  .0312  .0366  .0366  .0205   .0183      0       0
Se1'      0      0 .18217 .170  .0312  .0366  .0366  .0205   .0183      0       0
S2    .0146 .50730 .30757       .0381  .0214  .0387  .0485   .0107 -.0036  -.0018
S3        0      0     .5  .68   .117   .152   .152   .047    .076      0       0
Se3'      0      0     .5  .32   .117   .152   .152   .047    .076      0       0
Se      2/3    1/3  .0178       .0466  .0455  .0455  .0487   .0227      0       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)
 
Antimonpearceite
Download hom/antimonpearceite.pdf
Evain M, Bindi L, Menchetti S
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=768
Acta Crystallographica B62 (2006) 768-774
Structure and phase transition of the Se-rich variety of antimonpearceite,
[(Ag,Cu)6(Sb,As)2(S,Se)7]-[Ag9Cu(S,Se)2Se2]
Note: T = 120 K
Locality: De Lamar mine, Idaho, USA
_database_code_amcsd 0020664
13.1426 7.5879 23.729 90 90.00 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)
Ag1  .40458 .23826  .05653      .02470  .0347  .0156  .0237   .0030  .0024  -.0003
Ag2  .10006 .27073  .44361      .02431  .0303  .0155  .0271  -.0015  .0067  -.0015
Ag3  .31297 .44364  .45025      .02174  .0174  .0275  .0203  -.0008  .0019   .0011
Ag4  .34464 .99558  .43481 .787  .0301  .0206  .0418  .0279  -.0093  .0058   .0018
Cu4' .34464 .99558  .43481 .213  .0301  .0206  .0418  .0279  -.0093  .0058   .0018
Ag5  .15689 .51196  .07541 .904  .0438  .0181  .0400  .0734  -.0085  .0008   .0160
Cu5' .15689 .51196  .07541 .096  .0438  .0181  .0400  .0734  -.0085  .0008   .0160
Ag6  .18494 .04946  .05407      .02094  .0184  .0252  .0192  -.0017  .0024   .0011
Ag7  .12076 .00255  .29899      .02549  .0347  .0175  .0242  -.0096  .0118  -.0063
Ag8  .06548 .41819  .30819      .02599  .0190  .0333  .0256  -.0049  .0022  -.0083
Ag9  .05475 .25450  .19192      .02861  .0132  .0549  .0178   .0015 .00045  -.0019
Ag10 .24196 .92516  .19837       .0356  .0616  .0205  .0248  -.0165  .0193  -.0060
Ag11 .33018 .54218  .18872      .02807  .0494  .0185  .0162  -.0152  .0062  -.0015
Ag12 .24120 .65338  .30401      .02619  .0244  .0337  .0205  -.0052 -.0049   .0024
Ag13 .41747 .14844  .18436      .02990  .0134  .0470  .0294   .0080 -.0021  -.0017
Ag14 .41476 .40030  .30465      .02381  .0179  .0277  .0258  -.0072  .0020  -.0061
Ag15 .35615 .01474  .31001      .02283  .0314  .0161  .0210   .0094 -.0001  -.0015
Cu1  .23980 .26900  .24997      .01036  .0090  .0145  .0076  -.0010 -.0005   .0002
Sb1  .41934 .74224 .049318      .01186 .01258  .0116 .01137 -.00013 .00045 -.00031
Sb2  .08565 .76029 .454154      .01168 .01123 .01222 .01160  .00015 .00046 -.00029
S1   .23947 .26011  .15720 .820  .0126  .0117  .0153  .0107  -.0002  .0010  -.0013
Se1' .23947 .26011  .15720 .180  .0126  .0117  .0153  .0107  -.0002  .0010  -.0013
S2   .24226 .26472  .34245 .813  .0124  .0130  .0125  .0118   .0005  .0002   .0013
Se2' .24226 .26472  .34245 .187  .0124  .0130  .0125  .0118   .0005  .0002   .0013
S3   .26031  .7756  .09869       .0151  .0105  .0218  .0131   .0003 -.0002   .0024
S4   .24809  .7270  .40769       .0147  .0102  .0186  .0151   .0004  .0014  -.0008
S5   .48649  .5068  .10716       .0159  .0164  .0115  .0199  -.0003 -.0009   .0035
S6   .49279  .4862  .40685       .0129  .0122  .0112  .0153   .0002  .0008  -.0004
S7   .00299  .0217  .09274       .0140  .0129  .0134  .0158   .0044  .0031   .0020
S8   .02061 -.0054  .39546       .0152  .0171  .0126  .0158   .0030 -.0006   .0027
S9   .24653  .3317  .00287 .737  .0365  .0717  .0198  .0180  -.0005 -.0179  -.0002
Se9' .24653  .3317  .00287 .263  .0365  .0717  .0198  .0180  -.0005 -.0179  -.0002
Se1  .42892 .75709  .25433      .01342  .0148  .0102  .0153  -.0002  .0016  -.0007
Se2  .08817 .71500  .23224      .01485  .0109  .0188  .0150  -.0018 -.0013   .0028
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Levyclaudite-(Sb)
 
Evain M, Petricek V, Moelo Y, Maurel C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=62&spage=775
Acta Crystallographica B62 (2006) 775-789
First (3+2)-dimensional superspace approach to the structure of
levyclaudite-(Sb), a member of the cylindrite-type minerals
Locality: synthetic
_database_code_amcsd 0009944
3.6661 6.3138 11.9028 92.490 90.590 89.986 C-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)
Pb   .05541 .24113 .36783 .475 .03573  .0382 .03020  .0390 .00096 .00807 .00192
Sb   .05541  .2411  .3678 .204 .03573  .0382 .03020  .0390 .00096 .00807 .00192
Sn        0      0      0 .851 .01480  .0137 .00983  .0208 .00043 .00029 .00055
Cu    .0029  .0057  .1147 .149  .0229  .0180  .0138   .037  .0009  .0004  .0021
S1    .5033 .84278 .12342  .68  .0177  .0193  .0133  .0205 -.0005 -.0005  .0008
S2    .0402  .2583 .59639       .0310  .0395  .0295  .0237  .0002  .0052  .0019
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Sterryite
Download hom/sterryite.pdf
Moelo Y, Guillot-Deudon C, Evain M, Orlandi P, Biagioni C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=68&spage=480
Acta Crystallographica B68 (2012) 480-492
Comparative modular analysis of two complex sulfosalt structures: sterryite,
Cu(Ag,Cu)3Pb19-(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58
Locality: Pollone mine, Tuscany, Italy
_database_code_amcsd 0019482
8.1891 28.5294 42.98 90 94.896 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)
Pb1    .7269 .63980 .19903     .0236  .0119  .0214  .0384 -.0018  .0078 -.0028
Pb2    .2204 .63585 .19887     .0228  .0110  .0230  .0352  .0005  .0064 -.0005
Pb3    .6806 .69994 .10114     .0266  .0113  .0331  .0360  .0013  .0058  .0020
Pb4    .1796 .69914 .10211     .0239  .0101  .0232  .0394 -.0010  .0073  .0007
Pb5    .6827 .54811 .11574     .0248  .0104  .0153  .0498 -.0016  .0081 -.0034
Pb6    .1880 .54785 .11636     .0257  .0088  .0215  .0478  .0025  .0085 -.0021
Pb7    .6785 .40767 .10849  .9 .0215  .0049  .0219  .0385  .0035  .0056 -.0018
Bi7    .6785 .40767 .10849  .1 .0215  .0049  .0219  .0385  .0035  .0056 -.0018
Pb8    .1896 .40343 .11030     .0239  .0072  .0226  .0426 -.0004  .0069 -.0030
Sb9    .5305 .01042 .29831     .0216   .027  .0049   .034  .0062   .010 -.0004
Sb10   .4706 .49980 .19294  .7 .0182   .015  .0039   .037 -.0067   .007 -.0005
As10   .4706 .49980 .19294  .3 .0182   .015  .0039   .037 -.0067   .007 -.0005
Sb11   .4951 .08142 .22572 .91 .0191  .0135  .0154   .028  .0004  .0019 -.0039
As11   .4951 .08142 .22572 .09 .0191  .0135  .0154   .028  .0004  .0019 -.0039
Sb12  -.0004 .09558 .21938  .5 .0177  .0076  .0102   .036 -.0018   .007  .0018
As12  -.0004 .09558 .21938  .5 .0177  .0076  .0102   .036 -.0018   .007  .0018
Pb13   .7355 .21623 .21405     .0258  .0087  .0274  .0420  .0025  .0058 -.0003
Pb14   .2337 .21029 .20834 .76 .0282  .0153  .0154  .0559 -.0013  .0139 -.0020
Tl14   .2337 .21029 .20834 .24 .0282  .0153  .0154  .0559 -.0013  .0139 -.0020
Sb15   .9557 .76196 .17837 .07 .0154   .010   .012   .025  -.001   .007   .002
As15   .9557 .76196 .17837 .93 .0154   .010   .012   .025  -.001   .007   .002
Sb16   .4342 .76744 .17674 .86 .0229   .021  .0161   .032 -.0005   .006 -.0007
As16   .4342 .76744 .17674 .14 .0229   .021  .0161   .032 -.0005   .006 -.0007
Sb17   .9015 .83817 .09471     .0224  .0156  .0072   .044  .0019  .0000 -.0064
Sb18   .4294 .82664 .09887 .45 .0231  .0018   .032   .036   .000   .004  -.003
As18   .4294 .82664 .09887 .55 .0231  .0018   .032   .036   .000   .004  -.003
Sb19   .8984 .90892 .02117 .82 .0261   .015  .0186   .044 -.0007   .001  -.007
As19   .8984 .90892 .02117 .18 .0261   .015  .0186   .044 -.0007   .001  -.007
Sb20   .3796 .92081 .01144  .8 .0227  .0094  .0172   .041 -.0043   .002  .0016
As20   .3796 .92081 .01144  .2 .0227  .0094  .0172   .041 -.0043   .002  .0016
Sb21   .3380 .49779 .42995     .0280  .0039  .0179   .063 -.0008   .010  -.006
Pb22   .8526 .49900 .43845 .67 .0367  .0133  .0556  .0415  .0032  .0034  .0024
Sb22   .8526 .49900 .43845 .33 .0367  .0133  .0556  .0415  .0032  .0034  .0024
Pb23   .1804 .91576 .14472 .83 .0298  .0098  .0376  .0420 -.0034  .0028  .0009
Sb23   .1804 .91576 .14472 .17 .0298  .0098  .0376  .0420 -.0034  .0028  .0009
Sb24   .7048 .91749 .15226     .0218  .0104  .0101   .046 -.0017  .0085 -.0003
Ag25   .2343  .8281 .23710  .9  .048   .042   .030   .074  -.006   .019  -.023
Cu25   .2343  .8281 .23710  .1  .048   .042   .030   .074  -.006   .019  -.023
Sb26   .7330 .83424 .23460 .85 .0241  .0123   .026   .035  .0044   .009   .002
As26   .7330 .83424 .23460 .15 .0241  .0123   .026   .035  .0044   .009   .002
Pb27   .0042 .38059 .19626     .0282  .0227  .0220  .0412  .0021  .0094  .0009
Sb28   .4792 .36806 .19252 .55 .0262   .013   .035   .031   .007   .007   .006
As28   .4792 .36806 .19252 .45 .0262   .013   .035   .031   .007   .007   .006
Sb29   .4575 .95474 .22192     .0331   .030   .040   .032  -.014   .015  -.006
Pb30   .5218 .46856 .27371     .0321  .0235  .0235  .0497 -.0002  .0054 -.0033
Pb31   .4385 .04969 .14240     .0301  .0196  .0274  .0439 -.0036  .0062  .0009
Pb32   .9344 .05142 .14031     .0330  .0178  .0252  .0573  .0004  .0096  .0053
Ag33b   .355  .1216  .0548  .6  .021   .041   .005   .017   .002  -.006   .002
Cu33a   .385  .1125  .0603  .4  .021   .041   .005   .017   .002  -.006   .002
Ag34b  .9174 .11888 .05761 .36 .0462   .068   .026   .045   .014   .007  -.007
Hg34b  .9174 .11888 .05761 .24 .0462   .068   .026   .045   .014   .007  -.007
Cu34b  .9174 .11888 .05761  .4 .0462   .068   .026   .045   .014   .007  -.007
Pb35   .6432 .78361 .01656     .0271  .0124  .0300  .0395 -.0022  .0057  .0023
Pb36   .1376 .78670 .01835     .0290  .0153  .0297  .0424  .0032  .0058  .0030
Sb37   .8970 .62016 .03928 .27 .0183   .013   .013   .030  -.003   .007   .004
As37   .8970 .62016 .03928 .73 .0183   .013   .013   .030  -.003   .007   .004
Sb38   .3930 .61302 .03657     .0220   .019  .0230   .024  .0011  .0046  .0003
Sb39   .8961 .46983 .03944     .0219  .0082  .0233   .035 -.0044  .0046 -.0011
Sb40   .3994 .48411 .04011 .36 .0174   .007   .014   .032 -.0028   .008   .002
As40   .3994 .48411 .04011 .64 .0174   .007   .014   .032 -.0028   .008   .002
Pb41   .9048 .33727 .03897 .14 .0220  .0100  .0219   .035  .0015  .0077 -.0008
Sb41   .9048 .33727 .03897 .86 .0220  .0100  .0219   .035  .0015  .0077 -.0008
Sb42   .3870 .32966 .03506  .8 .0203  .0048  .0188   .038  .0017  .0063 -.0017
As42   .3870 .32966 .03506  .2 .0203  .0048  .0188   .038  .0017  .0063 -.0017
Cu43   .6465  .2133  .0582 .83  .041   .007   .082   .035   .003   .006   .030
Pb44a  .6792 .27434 .11949 .83 .0274  .0081  .0193  .0560  .0028  .0088  .0072
Sb44b  .6792 .27434 .11949 .17 .0274  .0081  .0193  .0560  .0028  .0088  .0072
Pb45   .1849 .25801 .10565     .0321  .0132  .0272  .0572  .0026  .0105  .0078
As46   .8587 .16461 .13154     .0177   .004   .000   .050  .0015   .009  -.003
As47   .5386  .1595 .13276     .0207   .006   .028   .029  -.001   .007   .004
S1     .9531  .6910  .1541      .013
S2     .4445  .6913  .1557      .012
S3     .9261  .6229  .0934      .017
S4     .4250  .6236  .0928      .012
S5     .9576  .5726  .1659      .012
S6     .4561  .5722  .1681      .015
S7     .4965  .1560  .2505      .014
S8     .4911  .6647  .2476      .021
S9     .9184  .7632  .0698      .019
S10    .4102  .7606  .0657      .020
S11     .929  .4786  .0971      .021
S12     .419  .4767  .0958      .023
S13    .6860  .4736  .1638      .017
S14    .2269  .4722  .1645      .021
S15    .7736  .5510  .2375      .020
S16    .2122  .5490  .2369      .019
S17   -.2423  .1171  .1902      .018
S18     .194  .1228  .1845      .031
S19    .7711  .7414  .2129      .020
S20    .1966  .7520  .2109      .015
S21    .6611  .8036  .1314      .022
S22    .2374  .7988  .1343      .016
S23    .6861  .8715  .0573      .022
S24    1.127  .8737  .0547      .027
S25    .4128  .0476  .0236      .019
S26    .8642  .0485  .0203      .021
S27    .0958  .4683  .3964      .020
S28     .946  .9678  .1042      .028
S29    .4855  .8880  .1847      .007
S30    .9445  .8893  .1860      .021
S31     .529  .8020  .2666      .023
S32    .5237  .3087  .2307      .016
S33    .2517  .3288  .1675      .025
S34    .6994  .3460  .1635      .019
S35    .2415  .4100  .2491      .020
S36    .7711  .4164  .2414      .021
S37     .285  .4922  .3206      .022
S38    .7090  .9942  .1756      .013
S39    .1696  .0743  .0959      .016
S40    .8211  .5742  .4030      .015
S41     .131  .1556  .0145      .025
S42    .6231  .1573  .0100      .020
S43     .690  .6769  .0346      .029
S44     .112  .6702  .0311      .028
S45     .613  .5396  .0390      .025
S46    .1871  .5450  .0390      .017
S47    .6814  .4106  .0393      .014
S48    .1160  .4065  .0406      .018
S49     .610  .2766  .0255      .033
S50     .172  .2728  .0380      .024
S51    .8951  .1968  .0839      .019
S52    .4391  .1899  .0868      .019
S53    .9368  .2276  .1613      .007
S54    .4812  .2237  .1629      .017
S55    .9296  .3349  .0993      .019
S56    .4231  .3338  .0932      .014
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Parasterryite
 
Moelo Y, Guillot-Deudon C, Evain M, Orlandi P, Biagioni C
Download http://scripts.iucr.org/cgi-bin/openurl?genre=article&issn=0108-7681&volume=68&spage=480
Acta Crystallographica B68 (2012) 480-492
Comparative modular analysis of two complex sulfosalt structures: sterryite,
Cu(Ag,Cu)3Pb19-(Sb,As)22(As-As)S56, and parasterryite, Ag4Pb20(Sb,As)24S58
Locality: Pollone mine, Tuscany, Italy
_database_code_amcsd 0019483
8.3965 27.954 43.884 90 90.061 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)
Pb1   .36763 .36216 .18873     .0223  .0238  .0237  .0194  .0013  .0021  .0004
Pb2   .87463 .36391 .18918     .0242  .0275  .0248  .0203 -.0005  .0044  .0006
Pb3   .36370 .29977 .09552     .0239  .0245  .0213  .0261 -.0004  .0036 -.0048
Pb4   .86185 .29243 .10178     .0243  .0283  .0211  .0233  .0012  .0003 -.0024
Pb5   .35693 .45226 .10872     .0250  .0261  .0225  .0265 -.0014  .0037  .0030
Pb6   .85479 .45238 .10944     .0256  .0273  .0205  .0288  .0005  .0021  .0033
Ag7    .3362 .58389 .10610     .0555  .0449  .0421   .080 -.0317  .0088 -.0074
Pb8   .81865 .59875 .11581     .0323  .0338  .0228  .0403 -.0028 -.0014  .0096
As9    .6226 .49315 .18644     .0159  .0154  .0151  .0171  .0010  .0030 -.0006
Sb10   .1312 .49109 .19319     .0210  .0290  .0158  .0181  .0008  .0015 -.0019
Sb11   .3725 .90657 .23240 .12 .0173  .0123  .0238  .0157  .0011  .0012 -.0001
As11   .3725 .90657 .23240 .88 .0173  .0123  .0238  .0157  .0011  .0012 -.0001
Sb12   .8665 .91492 .23679 .87 .0203  .0254  .0153  .0203 -.0007  .0023  .0029
As12   .8665 .91492 .23679 .13 .0203  .0254  .0153  .0203 -.0007  .0023  .0029
Pb13  .61281 .78747 .22624     .0293  .0302  .0264  .0312  .0003  .0105  .0028
Pb14  .13196 .78428 .22712     .0250  .0256  .0266  .0230 -.0007 -.0027  .0000
Sb15   .5937 .22519 .16976 .91 .0191  .0247  .0146  .0182 -.0004 -.0003  .0007
As15   .5937 .22519 .16976 .09 .0191  .0247  .0146  .0182 -.0004 -.0003  .0007
As16   .1231 .23186 .17065     .0163  .0172  .0144  .0175 -.0006  .0017  .0007
Sb17   .6199 .16758 .09448 .43 .0210  .0180  .0239  .0212  .0001  .0039  .0037
As17   .6199 .16758 .09448 .57 .0210  .0180  .0239  .0212  .0001  .0039  .0037
Sb18   .1139 .15868 .08751     .0215  .0161  .0161  .0323 -.0010  .0008  .0002
Sb19   .6161 .07517 .00797  .8 .0168  .0166  .0176  .0160 -.0021  .0017  .0012
As19   .6161 .07517 .00797  .2 .0168  .0166  .0176  .0160 -.0021  .0017  .0012
Pb20   .1146 .08099 .01537 .46 .0319  .0249  .0453  .0256  .0033  .0036  .0110
Sb20   .1146 .08099 .01537 .54 .0319  .0249  .0453  .0256  .0033  .0036  .0110
Pb21  .38579 .00515 .06394     .0222  .0238  .0180  .0248  .0005  .0016  .0021
Sb22   .8772 .00802 .07129 .78 .0177  .0171  .0175  .0187 -.0012  .0037  .0018
As22   .8772 .00802 .07129 .22 .0177  .0171  .0175  .0187 -.0012  .0037  .0018
Sb23   .3700 .07949 .15271 .82 .0186  .0166  .0184  .0209 -.0014  .0030 -.0026
As23   .3700 .07949 .15271 .18 .0186  .0166  .0184  .0209 -.0014  .0030 -.0026
Pb24  .88296 .08179 .14700     .0230  .0249  .0183  .0258  .0014  .0023  .0005
Ag25   .3523 .16014 .23146     .0351  .0497  .0209  .0347  .0000  .0020  .0079
Sb26   .8696 .16689 .22674  .7 .0208  .0229  .0237  .0156  .0023  .0047  .0011
As26   .8696 .16689 .22674  .3 .0208  .0229  .0237  .0156  .0023  .0047  .0011
Pb27  .39721 .61845 .19934     .0276  .0262  .0308  .0258  .0014  .0009  .0021
Sb28   .8947 .61462 .20042  .6 .0210  .0188  .0270  .0174 -.0015  .0004  .0035
As28   .8947 .61462 .20042  .4 .0210  .0188  .0270  .0174 -.0015  .0004  .0035
Sb29   .6118 .03729 .22421     .0211  .0201  .0234  .0199 -.0023  .0001 -.0010
Pb30  .11604 .02959 .22269     .0251  .0268  .0238  .0247 -.0029  .0018  .0027
Pb31  .62627 .94878 .14183     .0233  .0212  .0215  .0271  .0024  .0002 -.0021
Pb32  .11873 .95038 .14272     .0227  .0210  .0191  .0279 -.0007  .0018 -.0030
Pb33a .62472 .86693 .06450     .0248  .0229  .0267  .0248  .0024 -.0004 -.0059
Pb34a .14489 .87105 .06308     .0233  .0231  .0241  .0227 -.0045  .0040 -.0021
Pb35  .35797 .21290 .01550     .0273  .0274  .0254  .0291  .0028  .0029 -.0013
Pb36  .86164 .21330 .01791     .0237  .0232  .0261  .0218 -.0039  .0022  .0002
As37   .5987 .38671 .03818 .95 .0162  .0145  .0182  .0159 -.0006  .0034 -.0020
Sb37   .5987 .38671 .03818 .05 .0162  .0145  .0182  .0159 -.0006  .0034 -.0020
Sb38   .1380 .39220 .03406  .9 .0207  .0253  .0193  .0175 -.0057  .0013  .0000
As38   .1380 .39220 .03406  .1 .0207  .0253  .0193  .0175 -.0057  .0013  .0000
Sb39   .6318 .52810 .03770 .57 .0220  .0179  .0229  .0251 -.0022  .0020  .0077
As39   .6318 .52810 .03770 .43 .0220  .0179  .0229  .0251 -.0022  .0020  .0077
Sb40   .0989 .52584 .04232 .87 .0201  .0200  .0201  .0202 -.0037  .0025  .0009
As40   .0989 .52584 .04232 .13 .0201  .0200  .0201  .0202 -.0037  .0025  .0009
Sb41   .5784 .66010 .04420     .0215  .0203  .0162  .0281 -.0026 -.0015  .0012
As42   .1522 .66143 .02030     .0173  .0144  .0173  .0203  .0000  .0025 -.0006
As43   .9503 .75165 .06151     .0176  .0201  .0134  .0194 -.0015  .0039  .0019
Pb44a  .6387 .74091 .12709 .75 .0228  .0259  .0197  .0227 -.0043  .0044  .0000
Sb44b   .650  .7466  .1205 .25  .034   .046   .040   .016  -.032   .030  -.012
Ag45   .2654 .70516 .09631     .0543  .0286   .074  .0603  .0093 -.0050 -.0083
Ag46   .0835 .71966 .15450     .0559   .081  .0287  .0576 -.0063  .0141 -.0071
Sb47   .3303 .83235 .14525 .35 .0260  .0223  .0246  .0310  .0085  .0100  .0095
As47   .3303 .83235 .14525 .65 .0260  .0223  .0246  .0310  .0085  .0100  .0095
As48   .8846 .84764 .16134     .0169  .0158  .0143  .0205 -.0007  .0020 -.0043
S1     .6128 .30470 .14902     .0185   .023   .009   .023   .001   .002 -.0015
S2     .1178  .3032 .14703     .0178   .023   .015   .016  -.003   .001  .0014
S3     .6084  .3777 .08942     .0156   .018   .017   .011  -.002   .003 -.0033
S4     .1212 .37573 .08806     .0159   .018   .016   .014   .002   .006  .0042
S5     .6167  .4229 .15998     .0174   .016   .016   .020   .001   .001 -.0014
S6     .1232 .42371 .15807     .0172   .022   .014   .015  -.006   .004  .0013
S7     .6268  .3412 .23469     .0174   .018   .020   .015  -.003   .003 -.0038
S8     .1314  .3382 .23789     .0177   .019   .018   .016   .000   .004  .0016
S9     .6118 .23581 .06312     .0172   .017   .014   .020   .000   .002   .000
S10    .1119  .2392 .06355     .0170   .013   .015   .023  -.001   .003  -.002
S11    .6102  .5196 .09193     .0164   .015   .018   .016  -.004   .002  .0049
S12    .1065  .5302 .09812     .0176   .014   .021   .017   .000   .002   .001
S13    .4124  .5310 .16301     .0203   .017   .025   .020  -.001   .001   .003
S14    .8350  .5246 .16117     .0184   .020   .013   .022  -.005  -.002  -.001
S15    .3397  .4508 .22736     .0179   .021   .017   .016   .001   .003   .003
S16    .9195  .4492 .22794     .0164   .015   .018   .016   .000   .002  -.004
S17    .5801  .8792 .20257     .0201   .020   .027   .014   .003   .005   .003
S18    .1613  .8827 .20223     .0179   .018   .019   .016   .000   .001   .003
S19    .3391  .2442 .20238     .0188   .015   .027   .015   .002  -.001  -.001
S20    .9211  .2497 .20391     .0198   .021   .021   .018   .000   .000   .004
S21    .4117  .1926 .12933     .0201   .020   .019   .021  -.003   .001  -.002
S22    .8298  .1955 .12646     .0204   .027   .013   .022   .000   .000   .000
S23    .3354  .1299 .05158     .0184   .013   .017   .025  -.004   .002   .001
S24    .8962  .1267 .05336     .0174   .014   .014   .023  -.005  -.002   .000
S25    .6067  .9543 .02238     .0210   .017   .016   .030   .000  -.005   .009
S26    .1601  .9522 .02319     .0204   .021   .020   .020   .001   .003   .002
S27    .6556  .0338 .10331     .0230   .022   .019   .028   .003   .006   .002
S28    .1024  .0356 .10293     .0207   .026   .016   .020  -.003   .003   .001
S29    .5970  .1057 .18492     .0204   .023   .015   .023   .002  -.001   .002
S30    .1581  .1115 .18398     .0217   .023   .019   .024  -.005   .002   .002
S31    .3492  .6990 .24609     .0242   .026   .019   .028  -.001   .001   .000
S32    .9218  .6860 .23571     .0208   .022   .020   .021  -.001   .002  -.004
S33    .6860  .6526 .17319      .029   .028   .023   .035  -.003  -.001   .009
S34    .0939  .6303 .16317      .030   .028   .028   .032   .006   .002   .008
S35    .5988  .5746 .24488     .0267   .018   .036   .026  -.002   .007   .002
S36    .1625  .5719 .24762     .0204   .021   .018   .022   .001   .005   .001
S37    .6358  .4985 .32563     .0190   .013   .016   .028  -.003   .001   .002
S38    .1140  .4981 .32276     .0199   .019   .015   .025  -.003   .004   .000
S39    .3796  .9258 .09634     .0171   .014   .019   .018  -.001   .005 -.0008
S40    .8829  .9279 .09136     .0200   .021   .017   .022  -.002   .004   .001
S41    .3884  .8440 .01412     .0190   .021   .021   .016   .003   .002   .001
S42    .8890 .84341 .01686     .0162   .019   .011   .018  -.006   .000 -.0024
S43    .3975  .3338 .02800     .0176   .015   .020   .017  -.003   .000  -.002
S44    .8137  .3337 .03128     .0202   .018   .024   .019   .005   .004  -.005
S45    .3230  .4604 .03968     .0202   .020   .020   .021  -.003   .002  -.002
S46    .9069  .4616 .03874     .0190   .019   .013   .025   .002  -.003   .000
S47    .4112  .5896 .03314     .0231   .024   .018   .028   .000  -.001  -.002
S48    .8246  .5900 .04252     .0216   .022   .017   .026  -.004   .005   .009
S49    .3297  .7174 .03390     .0188   .019   .019   .018   .000   .000  -.002
S50    .9310  .7104 .01616     .0180   .015   .019   .021   .003   .004  -.004
S51    .6874  .7623 .06275     .0198   .025   .015   .020   .006   .007   .000
S52    .3758  .7929 .09786     .0218   .022   .026   .017   .001   .001  -.006
S53    .6749  .8420 .13026     .0186   .023   .014   .018   .003   .005   .006
S54   1.0593  .8227 .12564     .0236   .019   .029   .022   .000   .007   .000
S55    .3550  .7631 .17457     .0255   .031   .020   .025   .005   .009   .003
S56    .8673  .7755 .18359     .0187   .016   .023   .017  -.002   .002   .002
S57    .5126  .6530 .10049     .0219   .025   .020   .020  -.002   .001  -.002
S58    .9728  .6938 .09658      .030   .029   .030   .030  -.010  -.006   .013
Download AMC data (View Text File)
Download CIF data (View Text File)
Download diffraction data (View Text File)
View JMOL 3-D Structure (permalink)
 
Nevskite
Download hom/nevskite.pdf
Gaudin E, Jobic S, Evain M, Brec R, Rouxel J
 
Materials Research Bulletin 30 (1995) 549-561
Charge balance in some BixSey phases through atomic structure determination
and band structure calculations
Locality: synthetic
_database_code_amcsd 0014372
4.212 4.212 22.942 90 90 120 P-3m1
atom   x   y     z occ Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Bi1  1/3 2/3 .0419 .74 .023   .024   .024   .037  .0122      0      0
Se1' 1/3 2/3 .0419 .26 .023   .024   .024   .037  .0122      0      0
Se1    0   0 .1279     .013   .018   .018   .004   .009      0      0
Bi2  2/3 1/3 .2041     .023   .017   .017   .035  .0087      0      0
Se2  1/3 2/3 .2797     .013   .012   .012   .014   .006      0      0
Bi     0   0 .3727     .009   .009   .009   .007  .0048      0      0
Se3  2/3 1/3 .4404 .72 .021   .019   .019   .025  .0098      0      0
Bi3' 2/3 1/3 .4404 .28 .021   .019   .019   .025  .0098      0      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)
 
Cupropolybasite
 
Bindi L, Evain M, Spry P G, Tait K T, Menchetti S
 
Mineralogical Magazine 71 (2007) 641-650
Structural role of copper in the minerals of the pearceite-polybasite group:
the case of the new minerals cupropearceite and cupropolybasite
Locality: Premier mine, Stewart, British Columbia, Canada
_database_code_amcsd 0014581
7.3277 7.3277 11.7752 90 90 120 P-3m1
atom     x      y      z  occ  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ag1  .2954 .14769 .38437 .451 .0518  .0620  .0384  .0627  .0310 -.0052 -.0026
Cu1  .2954 .14769 .38437 .549 .0518  .0620  .0384  .0627  .0310 -.0052 -.0026
Ag2  .3568   .113  .1236 .356  .312  .0401    .73  .0510   .103  .0064   .020
Ag3  .3046 -.0841  .1186 .394  .139   .230   .177   .057   .137 -.0329  -.030
Sb     1/3    2/3 .41428 .691 .0245  .0253  .0253  .0228 .01265      0      0
As     1/3    2/3 .41428 .309 .0245  .0253  .0253  .0228 .01265      0      0
Cu2      0      0      0      .0320  .0396  .0396  .0168  .0198      0      0
S1       0      0  .1833      .0322  .0408  .0408  .0150  .0204      0      0
S2   .0100 .50499 .31516      .0269  .0221  .0247  .0330  .0110  .0016  .0008
S3     2/3    1/3  .0202      .0463  .0484  .0484  .0421  .0242      0      0
S4       0      0     .5       .113   .146   .146   .047   .073      0      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)
 
Download in:

Multiple datasets can be concatenated into a single downloadable file by selecting the datasets and then clicking

Multiple datasets can be downloaded as individual files inside a ZIP archive by selecting the datasets and then clicking

Total number of retrieved datasets: 24
View in amc, download in amc

Return to AMCSD Home Page