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: S1Se2-1
_database_code_amcsd 0004874
9.4193 13.6027 6.6311 90 106.483 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  .12027 -.02012  .7621       .0281  .0304  .0249  .0278 -.0040  .0061 -.0037
As2  .42419  .13989  .8582       .0274  .0248  .0263  .0310 -.0006  .0082  .0023
As3  .32215  .12816  .1771       .0276  .0269  .0327  .0215 -.0004  .0039 -.0029
As4  .04081  .16092  .7126       .0301  .0273  .0290  .0308  .0056  .0028  .0013
SX1  .34464 -.00778 .69845 .734  .0313  .0348  .0294  .0306  .0032  .0100 -.0027
SeX1 .34464 -.00778 .69845 .266  .0313  .0348  .0294  .0306  .0032  .0100 -.0027
SX2  .21428 -.02450 .11888 .684  .0306  .0301  .0309  .0304 -.0027  .0065  .0029
SeX2 .21428 -.02450 .11888 .316  .0306  .0301  .0309  .0304 -.0027  .0065  .0029
SX3  .23972  .22765 .63911 .851  .0324   .035  .0296  .0294  .0052  .0058  .0104
SeX3 .23972  .22765 .63911 .149  .0324   .035  .0296  .0294  .0052  .0058  .0104
SX4  .10777  .21330 .05369 .781  .0318  .0288  .0341  .0346  .0056  .0129 -.0043
SeX4 .10777  .21330 .05369 .219  .0318  .0288  .0341  .0346  .0056  .0129 -.0043