Ferrosilite
Sueno S, Cameron M, Prewitt C T
American Mineralogist 61 (1976) 38-53
Orthoferrosilite: High-temperature crystal chemistry
T = 400 deg C
_database_code_amcsd 0000488
18.484 9.124 5.2593 90 90 90 Pbca
atom      x      y     z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Fe1  .37554 .65283 .8823 .00077 .00382 .00839 -.00008 -.00031  .00017
Fe2  .37724 .48683 .3748 .00106 .00522 .01136 -.00021 -.00118  .00058
Si1  .27223  .3384 .0562 .00051 .00358 .00637 -.00023  .00010 -.00007
Si2  .47356  .3348 .7862 .00043 .00315 .00758  .00002 -.00022  .00047
O1A   .1852  .3386 .0490 .00048 .00478 .01160 -.00011 -.00013 -.00067
O2A   .3113  .4951 .0695 .00095 .00398 .01225 -.00063 -.00020  .00053
O3A   .3022  .2406 .8204 .00067 .00736 .00882  .00008 -.00037 -.00367
O1B   .5613  .3380 .7838 .00043 .00511 .01233 -.00012 -.00025  .00003
O2B   .4334  .4806 .6965 .00103 .00421 .01138  .00088 -.00037  .00255
O3B   .4481  .2073 .5782 .00094 .00487 .00785 -.00010  .00034 -.00285