Grossular 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 = 448 K _database_code_amcsd 0002774 11.860 11.860 11.860 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 .0383 .0451 .65142 .0083 .0083 .0056 .0000 -.0006 .0003 Ca 0 .25 1/8 .0093 .0093 .0057 .0016 0 0 Al 0 0 0 .0061 .0061 .0061 -.0000 -.0000 -.0000 Si 3/8 0 .25 .0056 .0054 .0054 0 0 0