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 = 298 K
_database_code_amcsd 0002781
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    .0348  .0479  .6523  .0047  .0064  .0045  .0007 -.0010  .0001
Mn       0    .25    1/8  .0086  .0086  .0042  .0018      0      0
Al       0      0      0  .0036  .0036  .0036 -.0003 -.0003 -.0003
Si     3/8      0    .25  .0037  .0037  .0037      0      0      0