Diopside
Cameron M, Sueno S, Prewitt C T, Papike J J
American Mineralogist 58 (1973) 594-618
High-temperature crystal chemistry of acmite, diopside, hedenbergite, jadeite,
spodumene, and ureyite
T = 1000 C
pyroxene
_database_code_amcsd 0000344
9.822 9.081 5.285 90 105.98 90 C2/c
atom     x     y      z B(1,1) B(2,2) B(3,3)  B(1,2)  B(1,3)  B(2,3)
Si   .2859 .0924  .2292 .00337 .00464 .01349 -.00030  .00184 -.00039
Mg1      0 .9063    1/4 .00551 .00613 .01529       0  .00190       0
Ca2      0 .3001    1/4 .01028 .00628 .02088       0 -.00104       0
O1   .1164 .0864  .1423 .00387 .00740 .01888 -.00007  .00176  .00020
O2   .3607 .2464  .3143 .00858 .00613 .02521 -.00241  .00278 -.00172
O3   .3487 .0146 -.0024 .00527 .00837 .01751  .00029  .00325 -.00376