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American Mineralogist Crystal Structure Database

1 matching records for this search.

Polybasite
Download hom/polybasite.pdf
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 = 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
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Total number of retrieved datasets: 1
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