Krupkaite
Topa D, Makovicky E, Balic-Zunic T
The Canadian Mineralogist 40 (2002) 1147-1159
The structural role of excess Cu and Pb in gladite and krupkaite
based on new refinements of their structure
Sample: bd47
_database_code_amcsd 0005782
4.0134 11.208 11.560 90 90 90 Pmc2_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)
Bi1    0 .92144 .42290      .0334  .0320  .0323  .0360      0      0  .0042
Bi2   .5 .56408 .38615      .0344  .0341  .0362  .0330      0      0  .0023
Bi3   .5 .21067 .55937      .0367  .0380  .0357  .0365      0      0 -.0032
Pb1    0  .2513 .23076      .0417  .0420  .0427  .0405      0      0  .0068
Cu1    0  .4611  .6332  .98  .042
S1    .5  .8029  .5255       .031   .034   .027   .032      0      0   .000
S2    .5  .1106  .3577       .032   .034   .032   .030      0      0   .000
S3    .5  .4446  .1885       .032   .033   .030   .034      0      0  -.002
S4     0  .6904  .2822       .033   .042   .025   .032      0      0  -.004
S5     0  .3758  .4510       .030   .034   .028   .028      0      0  -.002
S6     0  .0531  .6201       .030   .033   .026   .031      0      0   .000