Diopside
Levien L, Prewitt C T
American Mineralogist 66 (1981) 315-323
High-pressure structural study of diopside
P = 23.6 kbar
pyroxene
_database_code_amcsd 0000812
9.6809 8.847 5.2169 90 105.57 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     .28637 .0941 .2285 .00104  .0016  .0038 -.00004  .0006 -.0003
Mg1         0 .9092   .25 .00140  .0008  .0036       0  .0001      0
Ca2         0 .3026   .25 .00236  .0008  .0053       0 -.0001      0
O1      .1152 .0864 .1420 .00140  .0001  .0060       0  .0001  .0002
O2      .3609 .2515 .3192 .00230  .0027  .0046 -.00030  .0007 -.0003
O3      .3517 .0185 .9921 .00160  .0025  .0040 -.00020  .0006 -.0009