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 = 548 K
_database_code_amcsd 0002786
11.632 11.632 11.632 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  .0474  .6526  .0093  .0070  .0071 -.0009 -.0009  .0006
Mn       0    .25    1/8  .0139  .0139  .0067  .0029      0      0
Al       0      0      0  .0060  .0060  .0060 -.0003 -.0003 -.0003
Si     3/8      0    .25  .0053  .0056  .0056      0      0      0