Spessartine
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 = 598 K
_database_code_amcsd 0002787
11.641 11.641 11.641 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    .0350  .0474  .6526  .0073  .0107  .0070  .0005 -.0008  .0004
Mn       0    .25    1/8  .0149  .0149  .0069  .0029      0      0
Al       0      0      0  .0062  .0062  .0062  .0004  .0004  .0004
Si     3/8      0    .25  .0061  .0053  .0053      0      0      0