Grossular
Meagher E P
American Mineralogist 60 (1975) 218-228
The crystal structures of pyrope and grossularite at elevated temperatures
T = 365 deg C
garnet
_database_code_amcsd 0000451
11.880 11.880 11.880 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      .00056 .00203 .00203       0       0 .00016
Al       0     0     0  .63
Si       0   .25  .375      .00207 .00207 .00008       0       0      0
O    .0384 .0449 .6512      .00151 .00119 .00161 -.00017 -.00009 .00001