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: S1Se1-4
_database_code_amcsd 0004862
9.4602 13.6374 6.6556 90 106.4895 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  .11901 -.02014 .76064      .0234  .0229  .0199  .0246 -.0034  .0017 -.0036
As2  .42431  .13999 .85919      .0228  .0166  .0229  .0288 -.0001  .0061  .0010
As3  .32226  .12879 .17684      .0227  .0203  .0272  .0190 -.0009  .0032 -.0037
As4  .04005  .16074 .70973      .0248  .0191  .0245  .0270  .0053  .0003  .0025
SX1  .34387 -.00855 .69768 .564 .0269  .0289  .0245  .0268  .0020  .0074 -.0003
SeX1 .34387 -.00855 .69768 .436 .0269  .0289  .0245  .0268  .0020  .0074 -.0003
SX2  .21419 -.02459 .11879 .537 .0243  .0221  .0251  .0256 -.0016  .0067  .0025
SeX2 .21419 -.02459 .11879 .463 .0243  .0221  .0251  .0256 -.0016  .0067  .0025
SX3  .24046  .22839 .63985 .728 .0269  .0264  .0227  .0299  .0010  .0054  .0060
SeX3 .24046  .22839 .63985 .272 .0269  .0264  .0227  .0299  .0010  .0054  .0060
SX4  .10821  .21374 .05413 .601 .0280  .0253  .0313  .0282  .0040  .0092 -.0044
SeX4 .10821  .21374 .05413 .399 .0280  .0253  .0313  .0282  .0040  .0092 -.0044