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: S1Se1-3
_database_code_amcsd 0004861
9.4654 13.6771 6.6635 90 106.517 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  .11780 -.01975 .75947      .0241  .0258  .0199  .0241 -.0039  .0033 -.0034
As2  .42432  .14020 .85963      .0234  .0209  .0224  .0267 -.0004  .0064  .0010
As3  .32290  .12921 .17647      .0232  .0229  .0272  .0177 -.0003  .0028 -.0035
As4  .03955  .16072 .70840      .0257  .0228  .0247  .0261  .0054  .0011  .0031
SX1  .34314 -.00928 .69695 .473 .0265  .0309  .0225  .0258  .0033  .0077 -.0003
SeX1 .34314 -.00928 .69695 .527 .0265  .0309  .0225  .0258  .0033  .0077 -.0003
SX2  .21363 -.02515 .11823 .407 .0261  .0248  .0263  .0265 -.0008  .0060  .0022
SeX2 .21363 -.02515 .11823 .593 .0261  .0248  .0263  .0265 -.0008  .0060  .0022
SX3  .24116  .22909 .64055 .623 .0281  .0310  .0235  .0288  .0027  .0067  .0053
SeX3 .24116  .22909 .64055 .377 .0281  .0310  .0235  .0288  .0027  .0067  .0053
SX4  .10916  .21469 .05508 .478 .0304  .0320  .0308  .0302  .0046  .0115 -.0034
SeX4 .10916  .21469 .05508 .522 .0304  .0320  .0308  .0302  .0046  .0115 -.0034