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: S1Se1-16
_database_code_amcsd 0004871
9.3616 13.5833 6.6080 90 106.378 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  .12080 -.02050 .76259      .0262  .0277  .0248  .0253 -.0037  .0058 -.0034
As2  .42389  .13927 .85738      .0256  .0232  .0247  .0304 -.0013  .0104  .0015
As3  .32140  .12721 .17770      .0258  .0250  .0305  .0214 -.0006  .0059 -.0036
As4  .04020  .16097 .71340      .0279  .0243  .0292  .0286  .0064  .0049  .0032
SX1  .34513 -.00729 .69894 .846 .0320  .0344  .0321  .0311  .0034  .0119 -.0010
SeX1 .34513 -.00729 .69894 .154 .0320  .0344  .0321  .0311  .0034  .0119 -.0010
SX2  .21436 -.02442 .11896 .835 .0301  .0287  .0316  .0301 -.0021  .0081  .0045
SeX2 .21436 -.02442 .11896 .165 .0301  .0287  .0316  .0301 -.0021  .0081  .0045
SX3  .23919  .22712 .63858 .922 .0313  .0345  .0278  .0336  .0027  .0131  .0065
SeX3 .23919  .22712 .63858 .078 .0313  .0345  .0278  .0336  .0027  .0131  .0065
SX4  .10646  .21199 .05238 .877 .0334  .0335  .0364  .0326  .0045  .0130 -.0076
SeX4 .10646  .21199 .05238 .123 .0334  .0335  .0364  .0326  .0045  .0130 -.0076