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: S1Se1-15 _database_code_amcsd 0004870 9.3828 13.5837 6.6182 90 106.4839 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 .12097 -.02050 .76295 .02562 .0275 .0227 .0250 -.0047 .0047 -.0036 As2 .42392 .13939 .85713 .02487 .0218 .0235 .0301 -.0009 .0087 .0015 As3 .32151 .12725 .17744 .02529 .0246 .0287 .0207 -.0016 .0034 -.0036 As4 .04026 .16086 .71340 .02758 .0240 .0277 .0281 .0057 .0026 .0021 SX1 .34511 -.00731 .69892 .836 .0317 .0346 .0298 .0315 .0024 .0110 -.0017 SeX1 .34511 -.00731 .69892 .164 .0317 .0346 .0298 .0315 .0024 .0110 -.0017 SX2 .21449 -.02429 .11909 .810 .0320 .0322 .0314 .0319 -.0029 .0080 .0027 SeX2 .21449 -.02429 .11909 .190 .0320 .0322 .0314 .0319 -.0029 .0080 .0027 SX3 .23921 .22714 .63860 .895 .0341 .0394 .0286 .0354 .0026 .0127 .0074 SeX3 .23921 .22714 .63860 .105 .0341 .0394 .0286 .0354 .0026 .0127 .0074 SX4 .10648 .21201 .05240 .850 .0356 .0342 .0371 .0367 .0059 .0122 -.0060 SeX4 .10648 .21201 .05240 .150 .0356 .0342 .0371 .0367 .0059 .0122 -.0060