Ferrosilite
Smyth J R
American Mineralogist 58 (1973) 636-648
An orthopyroxene structure up to 850 C
T = 700 C
_database_code_amcsd 0000366
18.483 9.053 5.28 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  .2723 .3389  .0604      .00107 .00544 .01490 -.00018  .00013 -.00064
Sib  .4749 .3365  .7833      .00119 .00726 .01101 -.00080 -.00077 -.00047
Mg1  .3746 .6520  .8879 .512 .00145 .00655 .01393 -.00011 -.00048 -.00026
Fe1  .3746 .6520  .8879 .488 .00145 .00655 .01393 -.00011 -.00048 -.00026
Fe2  .3769 .4860  .3832 .844 .00212 .00900 .02084 -.00036 -.00201  .00092
Mg2  .3769 .4860  .3832 .124 .00212 .00900 .02084 -.00036 -.00201  .00092
Ca2  .3769 .4860  .3832 .032 .00212 .00900 .02084 -.00036 -.00201  .00092
O1a  .1841 .3377  .0578      .00230 .00342 .01129  .00264  .00114 -.00065
O2a  .3124 .4945  .0730      .00215 .00688 .01747  .00088  .00121 -.00257
O3a  .3007 .2380 -.1765      .00122 .01228 .02477 -.00061 -.00063  .00560
O1b  .5617 .3400  .7810      .00175 .00659 .01157  .00014  .00000 -.00094
O2b  .4345 .4843  .7045      .00182 .00739 .01837  .00059  .00160  .00026
O3b  .4494 .2152  .5672      .00113 .01159 .02200 -.00038 -.00004 -.00287