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 = 850 C
pyroxene
_database_code_amcsd 0000343
9.806 9.05 5.28 90 106 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   .2861 .0925 .2293 .00313 .00393 .01076 -.00030  .00150 -.00054
Mg1      0 .9066   1/4 .00472 .00521 .01249       0  .00182       0
Ca2      0 .3003   1/4 .00868 .00521 .01765       0 -.00054       0
O1   .1161 .0863 .1418 .00325 .00643 .01609 -.00001  .00167  .00043
O2   .3607 .2468 .3144 .00782 .00512 .02066 -.00225  .00257 -.00080
O3   .3492 .0151 .9976 .00467 .00745 .01495  .00004  .00274 -.00351