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: S1Se1-17
_database_code_amcsd 0004872
9.3805 13.6021 6.6197 90 106.442 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  .12068 -.02056 .76273     .02748  .0302  .0244  .0272 -.0040  .0070 -.0034
As2  .42372  .13933 .85679     .02627  .0245  .0252  .0305 -.0014  .0101  .0016
As3  .32137  .12715 .17737     .02643  .0262  .0302  .0221 -.0013  .0056 -.0031
As4  .04008  .16094 .71331     .02921  .0264  .0294  .0295  .0065  .0040  .0027
SX1  .34502 -.00740 .69883 .885 .0308  .0345  .0284  .0312  .0039  .0122 -.0014
SeX1 .34502 -.00740 .69883 .115 .0308  .0345  .0284  .0312  .0039  .0122 -.0014
SX2  .21436 -.02442 .11896 .871 .0285  .0310  .0279  .0276 -.0025  .0098  .0032
SeX2 .21436 -.02442 .11896 .129 .0285  .0310  .0279  .0276 -.0025  .0098  .0032
SX3  .23899  .22692 .63838 .934 .0332  .0383  .0283  .0339  .0029  .0117  .0055
SeX3 .23899  .22692 .63838 .066 .0332  .0383  .0283  .0339  .0029  .0117  .0055
SX4  .10626  .21179 .05218 .909 .0322  .0327  .0332  .0331  .0076  .0136 -.0047
SeX4 .10626  .21179 .05218 .090 .0322  .0327  .0332  .0331  .0076  .0136 -.0047