Diopside
Levien L, Prewitt C T
American Mineralogist 66 (1981) 315-323
High-pressure structural study of diopside
P = 45.5 kbar
pyroxene
_database_code_amcsd 0000814
9.630 8.785 5.1895 90 105.37 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     .2863 .09449 .2279  .0008  .0011  .0026 -.00014  .0004 -.0001
Mg1        0 .90940   .25  .0009  .0011  .0024       0  .0003      0
Ca2        0 .30378   .25  .0020  .0013  .0039       0      0      0
O1     .1150  .0879 .1421  .0010  .0016  .0044  .00010  .0006      0
O2     .3611  .2534 .3201  .0014  .0019  .0057 -.00060  .0012 -.0004
O3     .3530  .0207 .9901  .0010  .0021  .0038 -.00030  .0008 -.0009