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: S1Se1-8
_database_code_amcsd 0004866
9.446 13.629 6.6496 90 106.426 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  .11894 -.02002  .7605      .0295  .0301  .0222  .0352 -.0036  .0075 -.0030
As2  .42399  .14009  .8589      .0294  .0256  .0254  .0385 -.0006  .0114  .0005
As3  .32211  .12871  .1770      .0293  .0278  .0298  .0292 -.0008  .0063 -.0036
As4  .03995  .16068  .7096      .0314  .0266  .0271  .0377  .0063  .0048  .0027
SX1  .34372 -.00870 .69753 .536 .0361  .0405  .0282  .0411  .0029  .0139  .0003
SeX1 .34372 -.00870 .69753 .464 .0361  .0405  .0282  .0411  .0029  .0139  .0003
SX2  .21432 -.02446 .11892 .534 .0319  .0311  .0285  .0366 -.0020  .0104  .0036
SeX2 .21432 -.02446 .11892 .466 .0319  .0311  .0285  .0366 -.0020  .0104  .0036
SX3  .24009  .22802 .63949 .737 .0329  .0372  .0231  .0373  .0005  .0087  .0046
SeX3 .24009  .22802 .63949 .263 .0329  .0372  .0231  .0373  .0005  .0087  .0046
SX4  .10808  .21361 .05400 .632 .0329  .0288  .0322  .0405  .0030  .0140 -.0043
SeX4 .10808  .21361 .05400 .368 .0329  .0288  .0322  .0405  .0030  .0140 -.0043