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 = 700 C
pyroxene
_database_code_amcsd 0000342
9.799 9.029 5.274 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 .2294 .00256 .00349 .01313 -.00032  .00173 -.00032
Mg1      0 .9069   1/4 .00367 .00454 .01361       0  .00167       0
Ca2      0 .3005   1/4 .00726 .00468 .01834       0 -.00034       0
O1   .1164 .0864 .1423 .00286 .00559 .01701 -.00003  .00212  .00008
O2   .3604 .2477 .3149 .00632 .00452 .02049 -.00183  .00257 -.00089
O3   .3495 .0157 .9971 .00402 .00641 .01674 -.00016  .00319 -.00291