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: S1Se2-4
_database_code_amcsd 0004877
9.4223 13.5906 6.6354 90 106.446 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  .12039 -.02017 .76171      .02993  .0325  .0230  .0317 -.0032  .0049 -.0035
As2  .42412  .13987 .85811      .02955  .0267  .0266  .0363  .0002  .0105  .0023
As3  .32209  .12809 .17737       .0298  .0295  .0315  .0264 -.0012  .0050 -.0033
As4  .04077  .16081 .71239        .032  .0295  .0301  .0332  .0062  .0032  .0016
SX1  .34454 -.00788 .69835 .768  .0298  .0352  .0261  .0293  .0027  .0112 -.0013
SeX1 .34454 -.00788 .69835 .232  .0298  .0352  .0261  .0293  .0027  .0112 -.0013
SX2  .21420 -.02458 .11880 .728  .0303  .0302  .0265  .0335 -.0019  .0078  .0034
SeX2 .21420 -.02458 .11880 .273  .0303  .0302  .0265  .0335 -.0019  .0078  .0034
SX3  .23997  .22790 .63936 .898  .0293  .0326  .0227  .0325  .0018  .0093  .0076
SeX3 .23997  .22790 .63936 .102  .0293  .0326  .0227  .0325  .0018  .0093  .0076
SX4  .10773  .21326 .05365 .807  .0319  .0317  .0316  .0334  .0055  .0111 -.0041
SeX4 .10773  .21326 .05365 .193  .0319  .0317  .0316  .0334  .0055  .0111 -.0041