Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 850 C
_database_code_amcsd 0000367
18.546 9.081 5.298 90 90 90 Pbca
atom     x     y      z  occ Biso B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Mg1  .3746 .6514  .8919 .493      .00044 .00921 .01838 -.00031 -.00084  .00058
Fe1  .3746 .6514  .8919 .507      .00044 .00921 .01838 -.00031 -.00084  .00058
Fe2  .3767 .4856  .3905 .143      .00166 .01238 .02322 -.00024 -.00251  .00166
Mg2  .3767 .4856  .3905 .825      .00166 .01238 .02322 -.00024 -.00251  .00166
Ca2  .3767 .4856  .3905 .032      .00166 .01238 .02322 -.00024 -.00251  .00166
Sia  .2720 .3389  .0644           .00095 .00846 .01348  .00010 -.00060 -.00024
Sib  .4750 .3372  .7784           .00076 .00830 .01581  .00065 -.00001  .00083
O1a  .1841 .3374  .0550      4.17
O2a  .3126 .4950  .0773      3.13
O3a  .2987 .2394 -.1724      3.11
O1b  .5621 .3410  .7746           .00301 .01551 .02317  .00145 -.00388  .00171
O2b  .4348 .4844  .7133      3.08
O3b  .4504 .2228  .5529      3.49