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 = 648 K
_database_code_amcsd 0002788
11.645 11.645 11.645 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    .0351  .0473  .6524  .0071  .0108  .0078  .0007 -.0015 -.0001
Mn       0    .25    1/8  .0159  .0159  .0078  .0032      0      0
Al       0      0      0  .0068  .0068  .0068  .0001  .0001  .0001
Si     3/8      0    .25  .0059  .0058  .0058      0      0      0