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: S1Se1-10
_database_code_amcsd 0004868
9.4725 13.6493 6.6579 90 106.542 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  .11861 -.01982 .75985      .0251  .0266  .0209  .0256 -.0029  .0041 -.0037
As2  .42447  .14003 .85965      .0246  .0192  .0260  .0292  .0005  .0080  .0005
As3  .32226  .12898 .17667      .0248  .0218  .0307  .0200 -.0009  .0030 -.0038
As4  .03993  .16075 .70928      .0265  .0187  .0280  .0286  .0053 -.0000  .0020
SX1  .34363 -.00879 .69744 .527 .0282  .0289  .0253  .0299  .0034  .0075  .0004
SeX1 .34363 -.00879 .69744 .473 .0282  .0289  .0253  .0299  .0034  .0075  .0004
SX2  .21415 -.02463 .11875 .476 .0274  .0232  .0291  .0295 -.0018  .0073  .0016
SeX2 .21415 -.02463 .11875 .524 .0274  .0232  .0291  .0295 -.0018  .0073  .0016
SX3  .24051  .22844 .63990 .692 .0287  .0275  .0267  .0304  .0015  .0056  .0035
SeX3 .24051  .22844 .63990 .308 .0287  .0275  .0267  .0304  .0015  .0056  .0035
SX4  .10839  .21392 .05431 .555 .0298  .0273  .0332  .0311  .0046  .0117 -.0032
SeX4 .10839  .21392 .05431 .445 .0298  .0273  .0332  .0311  .0046  .0117 -.0032