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: S1Se2-11
_database_code_amcsd 0004882
9.4592 13.6345 6.6501 90 106.382 90 P2_1/n
atom      x       y      z  occ   Uiso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
As1  .12003 -.01984 .76104       .0303  .0342  .0248  .0301 -.0045  .0064 -.0040
As2  .42439  .14042 .85897       .0294  .0264  .0289  .0340  .0002  .0107  .0019
As3  .32264  .12887 .17664       .0293  .0297  .0343  .0233 -.0009  .0066 -.0027
As4  .04115  .16070 .71102       .0322  .0283  .0321  .0327  .0056  .0026  .0016
SX1  .34419 -.00822 .69801 .564  .0370  .0424  .0332  .0358  .0019  .0120 -.0012
SeX1 .34419 -.00822 .69801 .436  .0370  .0424  .0332  .0358  .0019  .0120 -.0012
SX2  .21448 -.02430 .11908 .517  .0338  .0337  .0338  .0350 -.0011  .0116  .0029
SeX2 .21448 -.02430 .11908 .483  .0338  .0337  .0338  .0350 -.0011  .0116  .0029
SX3  .24057  .22850 .63996 .745  .0355  .0386  .0303  .0380  .0012  .0117  .0060
SeX3 .24057  .22850 .63996 .255  .0355  .0386  .0303  .0380  .0012  .0117  .0060
SX4  .10868  .21421 .05460 .634  .0361  .0360  .0379  .0372  .0050  .0152 -.0062
SeX4 .10868  .21421 .05460 .366  .0361  .0360  .0379  .0372  .0050  .0152 -.0062