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 = 398 K
_database_code_amcsd 0002783
11.622 11.622 11.622 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  .0478  .6524  .0053  .0077  .0053  .0002 -.0006 -.0011
Mn       0    .25    1/8  .0104  .0104  .0053  .0022      0      0
Al       0      0      0  .0046  .0046  .0046  .0000  .0000  .0000
Si     3/8      0    .25  .0045  .0038  .0038      0      0      0