Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 20 C
_database_code_amcsd 0000362
18.337 8.971 5.232 90 90 90 Pbca
atom      x      y      z  occ B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Sia  .27182 .33967 .05188      .00033 .00153 .00520 -.00007  .00028 -.00038
Sib  .47391 .33560 .79182      .00029 .00167 .00450  .00005 -.00002  .00025
Mg1  .37546 .65459 .87652 .574 .00041 .00164 .00477  .00000 -.00011  .00002
Fe1  .37546 .65459 .87652 .425 .00041 .00164 .00477  .00000 -.00011  .00002
Fe2  .37779 .48398 .39643 .906 .00041 .00223 .00529 -.00010 -.00052  .00011
Mg2  .37779 .48398 .39643 .062 .00041 .00223 .00529 -.00010 -.00052  .00011
Ca2  .37779 .48398 .39643 .032 .00041 .00223 .00529 -.00010 -.00052  .00011
O1a  .18380 .33760  .0441      .00024 .00166 .00648 -.00001 -.00010 -.00011
O2a  .31130 .49910  .0570      .00062 .00165 .00763 -.00022 -.00020  .00030
O3a  .30230 .23470 -.1790      .00033 .00312 .00572 -.00029  .00012 -.00219
O1b  .56230 .33610  .7910      .00025 .00238 .00475 -.00001 -.00021  .00037
O2b  .43400 .48420  .6965      .00037 .00239 .00701  .00001  .00038  .00059
O3b  .44750 .20340  .5880      .00030 .00338 .00368  .00031 -.00024 -.00104