Deanesmithite
Szymanski J T, Groat L A
The Canadian Mineralogist 35 (1997) 765-772
The crystal structure of deanesmithite, Hg2Hg3CrO5S2
_database_code_amcsd 0005526
8.1287 9.4916 6.8940 100.356 110.163 82.981 P-1
atom      x      y      z  Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Hg1  .55957 .08546 .85556        .0191  .0301  .0279 -.0072 -.0008  .0083
Hg2  .27861 .97327 .61713        .0203  .0443  .0310 -.0096 -.0006  .0005
Hg3       0      0      0        .0185  .0223  .0190  .0001  .0012  .0037
Hg4      .5     .5      0        .0160  .0352  .0391  .0001  .0058  .0041
Hg5  .16981 .65337 .18197        .0238  .0296  .0211 -.0053  .0071  .0021
Hg6  .11631 .66011 .66080        .0357  .0333  .0176 -.0037  .0035  .0035
Cr   .37608 .29969 .40189        .0140  .0190  .0194 -.0015 -.0002  .0036
S1   .04370 .81653 .40826        .0146  .0267  .0208 -.0046  .0013  .0014
S2   .19375 .48557 .88688        .0175  .0267  .0262 -.0044  .0055  .0037
O1   .49763 .30035 .25609 .0336
O2   .51029 .30784 .65049 .0198
O3   .26885 .14737 .33021 .0287
O4   .81307 .15391 .03067 .0174
O5   .23193 .44113 .38588 .0325