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 = 400 C
pyroxene
_database_code_amcsd 0000341
9.776 8.979 5.267 90 105.94 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   .2862 .0929 .2294 .00194 .00219 .00911 -.00014  .00066 -.00022
Mg1      0 .9072   1/4 .00285 .00270 .00880       0  .00065       0
Ca2      0 .3008   1/4 .00491 .00291 .01229       0 -.00053       0
O1   .1160 .0868 .1424 .00209 .00355 .01161  .00003  .00069  .00042
O2   .3611 .2486 .3163 .00465 .00302 .01386 -.00117  .00136 -.00085
O3   .3501 .0165 .9961 .00285 .00411 .01314 -.00008  .00184 -.00180