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 = 205 K
_database_code_amcsd 0002778
11.610 11.610 11.610 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    .03492 .04783 .65236  .0038  .0050  .0036  .0002 -.0003  .0000
Mn        0    .25    1/8  .0064  .0064  .0034  .0013      0      0
Al        0      0      0  .0031  .0031  .0031 -.0000 -.0000 -.0000
Si      3/8      0    .25  .0029  .0026  .0026      0      0      0