American Mineralogist Crystal Structure Database

6 matching records for this search.

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)
 
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)
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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
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View JMOL 3-D Structure (permalink)
 
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Total number of retrieved datasets: 6
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