Diopside
Finger L W, Ohashi Y
American Mineralogist 61 (1976) 303-310
The thermal expansion of diopside to 800 C and a refinement of the crystal
structure at 700 C
T = 700 C
_database_code_amcsd 0000517
9.804 9.030 5.275 90 105.98 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)
Ca       0 .9067   .25 .00049 .00040 .00147       0 .00028       0
Mg       0 .3003   .25 .00082 .00043 .00208       0 .00007       0
Si   .2864 .0923 .2299 .00032 .00030 .00137 -.00003 .00027 -.00040
O1   .1167 .0872 .1417 .00039 .00051 .00155 -.00011 .00025 -.00030
O2   .3617 .2460 .3166 .00070 .00040 .00220 -.00020 .00040 -.00030
O3   .3493 .0155 .9978 .00042 .00058 .00163  .00003 .00031 -.00028