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 = 24 C
pyroxene
_database_code_amcsd 0000340
9.745 8.899 5.251 90 105.63 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 .0933 .2293 .00055 .00071 .00256 -.00003  .00025 -.00010
Mg1      0 .9082   1/4 .00075 .00075 .00246       0  .00009       0
Ca2      0 .3015   1/4 .00180 .00115 .00424       0 -.00033       0
O1   .1156 .0873 .1422 .00061 .00125 .00355  .00006  .00011  .00017
O2   .3611   .25 .3180 .00151 .00095 .00497 -.00055  .00029 -.00009
O3   .3505 .0176 .9953 .00092 .00153 .00341  .00000  .00052 -.00069