Polybasite
Evain M, Bindi L, Menchetti S
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