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: S1Se1-9
_database_code_amcsd 0004867
9.4598 13.6531 6.6604 90 106.511 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  .11870 -.02011 .76043      .0232  .0226  .0184  .0267 -.0035  .0043 -.0033
As2  .42388  .14016 .85908      .0227  .0173  .0216  .0300 -.0008  .0082  .0014
As3  .32225  .12888 .17682      .0225  .0192  .0257  .0206 -.0006  .0024 -.0032
As4  .03976  .16076 .70932      .0251  .0184  .0237  .0297  .0057  .0015  .0025
SX1  .34372 -.00870 .69753 .547 .0266  .0283  .0227  .0294  .0028  .0091 -.0002
SeX1 .34372 -.00870 .69753 .453 .0266  .0283  .0227  .0294  .0028  .0091 -.0002
SX2  .21361 -.02517 .11821 .509 .0252  .0220  .0250  .0281 -.0017  .0064  .0019
SeX2 .21361 -.02517 .11821 .491 .0252  .0220  .0250  .0281 -.0017  .0064  .0019
SX3  .24065  .22858 .64004 .701 .0279  .0287  .0233  .0318  .0038  .0087  .0062
SeX3 .24065  .22858 .64004 .299 .0279  .0287  .0233  .0318  .0038  .0087  .0062
SX4  .10840  .21393 .05432 .593 .0276  .0228  .0309  .0300  .0041  .0089 -.0040
SeX4 .10840  .21393 .05432 .407 .0276  .0228  .0309  .0300  .0041  .0089 -.0040