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 = 205 K _database_code_amcsd 0002768 11.844 11.844 11.844 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 .03820 .04530 .65146 .0040 .0049 .0037 .0001 -.0003 .0004 Ca 0 .25 1/8 .0043 .0043 .0029 .0005 0 0 Al 0 0 0 .0032 .0032 .0032 -.0001 -.0001 -.0001 Si 3/8 0 .25 .0031 .0027 .0027 0 0 0