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: S1Se1-14
_database_code_amcsd 0004869
9.3874 13.6002 6.6233 90 106.444 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  .12090 -.02041  .7625      .0258  .0291  .0211  .0268 -.0039  .0069 -.0040
As2  .42429  .13968  .8574      .0248  .0242  .0223  .0298 -.0005  .0107  .0011
As3  .32160  .12759  .1775      .0255  .0257  .0285  .0221 -.0025  .0064 -.0028
As4  .04054  .16105  .7131      .0276  .0254  .0255  .0293  .0049  .0036  .0031
SX1  .34493 -.00749 .69874 .812 .0315   .037  .0279  .0330  .0029  .0154 -.0011
SeX1 .34493 -.00749 .69874 .188 .0315   .037  .0279  .0330  .0029  .0154 -.0011
SX2  .21445 -.02433 .11905 .807 .0300   .033  .0268  .0317 -.0031  .0118  .0023
SeX2 .21445 -.02433 .11905 .193 .0300   .033  .0268  .0317 -.0031  .0118  .0023
SX3  .23941  .22734 .63880 .889 .0333   .036   .028  .0361  .0067  .0113  .0086
SeX3 .23941  .22734 .63880 .111 .0333   .036   .028  .0361  .0067  .0113  .0086
SX4  .10719  .21272 .05311 .852 .0314   .033  .0323  .0306  .0095  .0116 -.0038
SeX4 .10719  .21272 .05311 .148 .0314   .033  .0323  .0306  .0095  .0116 -.0038