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: S1Se0-2
_database_code_amcsd 0004856
9.3334 13.5780 6.6006 90 106.499 90 P2_1/n
atom     x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
As1 .12100 -.02072 .76335 .02366 .02444 .02287 .02291 -.00408 .00547 -.00333
As2 .42374  .13896 .85628 .02327 .01995 .02396 .02782 -.00092 .00992  .00157
As3 .32096  .12643 .17791 .02311 .02156 .02803 .01906 -.00120 .00464 -.00353
As4 .03926  .16103 .71451 .02499 .02051 .02792 .02513  .00576 .00418  .00232
SX1 .34415 -.00626 .70090 .02560  .0276  .0248  .0273   .0032  .0123  -.0033
SX2 .21431 -.02341 .11564 .02522  .0256  .0275  .0231  -.0026  .0080   .0043
SX3 .23868  .22617 .63965 .02757  .0320  .0239  .0286   .0032  .0115   .0079
SX4 .10680  .20995 .05213 .02857  .0272  .0314  .0299   .0062  .0125  -.0056