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: S1Se1-7
_database_code_amcsd 0004865
9.4601 13.6323 6.6492 90 106.491 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  .11901 -.02008 .76074      .0217  .0178  .0201  .0243 -.0036  .0013 -.0034
As2  .42392  .14010 .85871      .0214  .0126  .0243  .0283 -.0009  .0070  .0003
As3  .32214  .12866 .17684      .0218  .0156  .0284  .0194 -.0005  .0014 -.0028
As4  .04006  .16066 .70982      .0237  .0141  .0259  .0279  .0047  .0008  .0023
SX1  .34386 -.00856 .69767 .573 .0252  .0229  .0244  .0288  .0024  .0078  .0006
SeX1 .34386 -.00856 .69767 .427 .0252  .0229  .0244  .0288  .0024  .0078  .0006
SX2  .21413 -.02465 .11873 .522 .0255  .0181  .0291  .0288 -.0022  .0060  .0015
SeX2 .21413 -.02465 .11873 .478 .0255  .0181  .0291  .0288 -.0022  .0060  .0015
SX3  .24035  .22828 .63974 .714 .0269  .0243  .0257  .0304  .0021  .0073  .0049
SeX3 .24035  .22828 .63974 .286 .0269  .0243  .0257  .0304  .0021  .0073  .0049
SX4  .10798  .21351 .05390 .601 .0279  .0199  .0336  .0319  .0041  .0100 -.0056
SeX4 .10798  .21351 .05390 .399 .0279  .0199  .0336  .0319  .0041  .0100 -.0056