Ferrosilite Smyth J R American Mineralogist 58 (1973) 636-648 An orthopyroxene structure up to 850 C T = 20 C _database_code_amcsd 0000362 18.337 8.971 5.232 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 .27182 .33967 .05188 .00033 .00153 .00520 -.00007 .00028 -.00038 Sib .47391 .33560 .79182 .00029 .00167 .00450 .00005 -.00002 .00025 Mg1 .37546 .65459 .87652 .574 .00041 .00164 .00477 .00000 -.00011 .00002 Fe1 .37546 .65459 .87652 .425 .00041 .00164 .00477 .00000 -.00011 .00002 Fe2 .37779 .48398 .39643 .906 .00041 .00223 .00529 -.00010 -.00052 .00011 Mg2 .37779 .48398 .39643 .062 .00041 .00223 .00529 -.00010 -.00052 .00011 Ca2 .37779 .48398 .39643 .032 .00041 .00223 .00529 -.00010 -.00052 .00011 O1a .18380 .33760 .0441 .00024 .00166 .00648 -.00001 -.00010 -.00011 O2a .31130 .49910 .0570 .00062 .00165 .00763 -.00022 -.00020 .00030 O3a .30230 .23470 -.1790 .00033 .00312 .00572 -.00029 .00012 -.00219 O1b .56230 .33610 .7910 .00025 .00238 .00475 -.00001 -.00021 .00037 O2b .43400 .48420 .6965 .00037 .00239 .00701 .00001 .00038 .00059 O3b .44750 .20340 .5880 .00030 .00338 .00368 .00031 -.00024 -.00104