Grossular
Rodehorst U, Geiger C A, Armbruster T
American Mineralogist 87 (2002) 542-549
The crystal structures of grossular and spessartine between 100 and 600 K
and the crystal chemistry of grossular-spessartine solid solutions
Sample: T = 261 K
_database_code_amcsd 0002769
11.847 11.847 11.847 90 90 90 Ia-3d
atom     x     y      z U(1,1) U(2,2) U(3,3) U(1,2)  U(1,3) U(2,3)
O    .0382 .0453 .65154  .0043  .0052  .0040  .0001 -.0001  .0005
Ca       0   .25    1/8  .0051  .0051  .0031   .001      0      0
Al       0     0      0  .0037  .0037  .0037  .0002  .0002  .0002
Si     3/8     0    .25  .0034  .0030  .0030      0      0      0