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 = 498 K
_database_code_amcsd 0002785
11.627 11.627 11.627 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    .0349  .0478  .6525  .0061  .0076  .0051  .0005 -.0008  .0002
Mn       0    .25    1/8  .0108  .0108  .0052  .0026      0      0
Al       0      0      0  .0048  .0048  .0048  .0001  .0001  .0001
Si     3/8      0    .25  .0050  .0044  .0044      0      0      0