Grossular Geiger C A, Armbruster T American Mineralogist 82 (1997) 740-747 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 500 K _database_code_amcsd 0001928 11.641 11.641 11.641 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) CaX 0 .25 .125 .0134 .0134 .0059 .0029 0 0 AlY 0 0 0 .0053 .0053 .0053 -.0000 -.0000 -.0000 Si 3/8 0 .25 .0041 .0048 .0048 0 0 0 O .03508 .04744 .65237 .0072 .0094 .0055 .0008 -.0015 .0001