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 = 100 K _database_code_amcsd 0001926 11.606 11.606 11.606 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 .00345 .00345 .0019 .00058 0 0 AlY 0 0 0 .0023 .0023 .0023 .0002 .0002 .0002 Si 3/8 0 .25 .0017 .0020 .0020 0 0 0 O .03493 .04816 .65246 .0031 .0038 .0023 .0005 -.0006 -.0002