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 = 550 K _database_code_amcsd 0001925 11.872 11.872 11.872 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 .0104 .0104 .0062 .0020 0 0 AlY 0 0 0 .0067 .0067 .0067 -.0001 -.0001 -.0001 Si 3/8 0 .25 .0051 .0055 .0055 0 0 0 O .03839 .04483 .65142 .0077 .0095 .0066 .0009 -.0009 .0002