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 = 348 K
_database_code_amcsd 0002782
11.621 11.621 11.621 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  .0477  .6526  .0057  .0070  .0046  .0008 -.0006  .0005
Mn       0    .25    1/8  .0102  .0102  .0048  .0022      0      0
Al       0      0      0  .0045  .0045  .0045  .0003  .0003  .0003
Si     3/8      0    .25  .0038  .0040  .0040      0      0      0