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