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 = 398 K
_database_code_amcsd 0002773
11.855 11.855 11.855 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    .03827 .04512 .65158  .0068  .0070  .0057  .0006 -.0006  .0004
Ca        0    .25    1/8  .0082  .0082  .0051  .0012      0      0
Al        0      0      0  .0058  .0058  .0058 -.0002 -.0002 -.0002
Si      3/8      0    .25  .0049  .0048  .0048      0      0      0