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 = 298 K _database_code_amcsd 0002771 11.850 11.850 11.850 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 .0454 .65151 .0045 .0053 .0047 .0005 -.0003 .0001 Ca 0 .25 1/8 .0058 .0058 .0036 .0007 0 0 Al 0 0 0 .0040 .0040 .0040 -.0002 -.0002 -.0002 Si 3/8 0 .25 .0044 .0043 .0043 0 0 0