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: S1Se1-5
_database_code_amcsd 0004863
9.4424 13.6400 6.6537 90 106.506 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  .11865 -.01991 .76043      .0247  .0273  .0208  .0240 -.0035  .0039 -.0038
As2  .42448  .14011 .85911      .0242  .0215  .0236  .0275 -.0011  .0067  .0008
As3  .32250  .12878 .17699      .0246  .0248  .0290  .0181 -.0004  .0033 -.0034
As4  .03991  .16078 .70955      .0267  .0231  .0265  .0269  .0057  .0013  .0025
SX1  .34334 -.00908 .69715 .533 .0295  .0350  .0258  .0280  .0027  .0095 -.0006
SeX1 .34334 -.00908 .69715 .467 .0295  .0350  .0258  .0280  .0027  .0095 -.0006
SX2  .21374 -.02504 .11834 .496 .0274  .0268  .0280  .0271 -.0022  .0072  .0026
SeX2 .21374 -.02504 .11834 .504 .0274  .0268  .0280  .0271 -.0022  .0072  .0026
SX3  .24062  .22855 .64001 .701 .0294  .0357  .0253  .0265  .0024  .0076  .0056
SeX3 .24062  .22855 .64001 .299 .0294  .0357  .0253  .0265  .0024  .0076  .0056
SX4  .10881  .21434 .05473 .560 .0320  .0323  .0344  .0301  .0043  .0102 -.0055
SeX4 .10881  .21434 .05473 .440 .0320  .0323  .0344  .0301  .0043  .0102 -.0055