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: S1Se1-18
_database_code_amcsd 0004873
9.3527 13.5795 6.6069 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  .12098 -.02069 .76305     .02619  .0273  .0242  .0260 -.0043  .0057 -.0037
As2  .42389  .13933 .85677     .02608  .0235  .0256  .0311 -.0008  .0109  .0014
As3  .32130  .12715 .17745     .02619  .0255  .0303  .0220 -.0006  .0054 -.0026
As4  .04002  .16086 .71373     .02831  .0242  .0285  .0302  .0059  .0045  .0019
SX1  .34527 -.00715 .69908 .897 .0305  .0338  .0286  .0315  .0039  .0131 -.0012
SeX1 .34527 -.00715 .69908 .103 .0305  .0338  .0286  .0315  .0039  .0131 -.0012
SX2  .21446 -.02432 .11906 .888 .0287  .0284  .0292  .0289 -.0026  .0085  .0021
SeX2 .21446 -.02432 .11906 .112 .0287  .0284  .0292  .0289 -.0026  .0085  .0021
SX3  .23888  .22681 .63827 .941 .0322  .0349  .0290  .0340  .0014  .0120  .0080
SeX3 .23888  .22681 .63827 .059 .0322  .0349  .0290  .0340  .0014  .0120  .0080
SX4  .10642  .21195 .05234 .904 .0333  .0319  .0357  .0333  .0056  .0106 -.0070
SeX4 .10642  .21195 .05234 .096 .0333  .0319  .0357  .0333  .0056  .0106 -.0070