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 = 261 K
_database_code_amcsd 0002779
11.615 11.615 11.615 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    .03489 .04775 .65226  .0051  .0061  .0037  .0005 -.0008  .0004
Mn        0    .25    1/8  .0077  .0077  .0038  .0014      0      0
Al        0      0      0  .0036  .0036  .0036 -.0000 -.0000 -.0000
Si      3/8      0    .25  .0036  .0032  .0032      0      0      0