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 = 273 K _database_code_amcsd 0002770 11.849 11.849 11.849 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 .0382 .0453 .65139 .0047 .0056 .0038 .0000 -.0005 .0003 Ca 0 .25 1/8 .0055 .0055 .0034 .0007 0 0 Al 0 0 0 .0039 .0039 .0039 -.0001 -.0001 -.0001 Si 3/8 0 .25 .0036 .0031 .0031 0 0 0