Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 500 C
_database_code_amcsd 0000365
18.429 9.028 5.26 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    .2719 .3392  .0572      .00074 .00458 .01369 -.00007  .00025 -.00033
Sib    .4745 .3362  .7874      .00100 .00418 .01132  .00005  .00012  .00013
Mg1    .3752 .6532  .8841 .576 .00095 .00539 .01186 -.00012 -.00038 -.00022
Fe1    .3752 .6532  .8841 .423 .00095 .00539 .01186 -.00012 -.00038 -.00022
Fe2    .3772 .4850  .3777 .909 .00148 .00680 .01561 -.00021 -.00163  .00032
Mg2    .3772 .4850  .3777 .059 .00148 .00680 .01561 -.00021 -.00163  .00032
Ca2    .3772 .4850  .3777 .032 .00148 .00680 .01561 -.00021 -.00163  .00032
O1a    .1841 .3377  .0522      .00085 .00521 .00883  .00010 -.00020 -.00048
O2a    .3120 .4952  .0684      .00149 .00484 .01783  .00086 -.00002 -.00357
O3a    .3019 .2374 -.1778      .00094 .01010 .01835 -.00142 -.00009  .00258
O1b    .5627 .3384  .7859      .00133 .00551 .00957 -.00010 -.00081 -.00031
O2b    .4345 .4831  .7031      .00134 .00515 .01200 -.00017  .00099 -.00159
O3b    .4481 .2112  .5757      .00068 .00886 .01946 -.00027 -.00055 -.00373