Realgar
Kyono A
American Mineralogist 94 (2009) 451-460
Molecular conformation and anion configuration variations for As4S4 and As4Se4
in an anion-substituted solid solution
Locality: synthetic
Note: S1Se0-4
_database_code_amcsd 0004858
9.3389 13.5871 6.5981 90 106.500 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12097 -.02074 .76336 .02475  .0258  .0225  .0244  -.0037  .0046  -.0030
As2 .42379  .13895 .85640 .02436  .0210  .0236  .0295  -.0010  .0087   .0015
As3 .32100  .12646 .17807 .02420  .0231  .0273  .0207  -.0012  .0038  -.0034
As4 .03937  .16109 .71454 .02637  .0220  .0270  .0275   .0054  .0026   .0020
SX1 .34449 -.00622  .7010  .0269  .0307  .0251  .0270   .0033  .0120  -.0029
SX2 .21412 -.02339  .1156  .0260  .0278  .0257  .0245  -.0025  .0073   .0041
SX3 .23878  .22609  .6395  .0293  .0328  .0248  .0308   .0032  .0103   .0086
SX4 .10658  .20990  .0522  .0308  .0290  .0318  .0338   .0060  .0126  -.0057