Pearceite
Bindi L, Evain M, Menchetti S
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