Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 280 C
_database_code_amcsd 0000364
18.371 9 5.242 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  .2720 .3394  .0542      .00057 .00338 .00980  .00001  .00016 -.00020
Sib  .4741 .3358  .7907      .00074 .00334 .00874  .00008  .00008  .00029
Mg1  .3753 .6540  .8799 .594 .00064 .00376 .00813 -.00008 -.00038  .00017
Fe1  .3753 .6540  .8799 .406 .00064 .00376 .00813 -.00008 -.00038  .00017
Fe2  .3776 .4848  .3738 .925 .00092 .00499 .01151 -.00017 -.00113  .00019
Mg2  .3776 .4848  .3738 .042 .00092 .00499 .01151 -.00017 -.00113  .00019
Ca2  .3776 .4848  .3738 .032 .00092 .00499 .01151 -.00017 -.00113  .00019
O1a  .1832 .3376  .0476      .00072 .00360 .00794 -.00039 -.00053 -.00055
O2a  .3116 .4967  .0634      .00095 .00488 .00938  .00028  .00033 -.00282
O3a  .3024 .2367 -.1805      .00071 .00615 .01464 -.00084 -.00045  .00240
O1b  .5624 .3366  .7867      .00089 .00374 .00902 -.00015 -.00063 -.00038
O2b  .4342 .4845  .6997      .00080 .00392 .00720  .00004  .00121 -.00224
O3b  .4477 .2059  .5831      .00055 .00545 .01367 -.00001 -.00062 -.00149