Grossular
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
garnet
T = 675 deg C
_database_code_amcsd 0000452
11.917 11.917 11.917 90 90 90 Ia-3d
atom     x    y     z Biso B(1,1) B(2,2) B(3,3)  B(1,2) B(1,3)  B(2,3)
Ca    .125    0   .25      .00089 .00264 .00264       0      0 .000005
Al       0    0     0  .94
Si       0  .25  .375      .00209 .00209 .00110       0      0       0
O    .0381 .045 .6515      .00233 .00208 .00148 -.00008 .00002 .000210