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 = 498 K _database_code_amcsd 0002775 11.867 11.867 11.867 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 .03831 .0451 .65146 .0070 .0090 .0059 .0009 -.0006 .0007 Ca 0 .25 1/8 .0095 .0095 .0055 .0019 0 0 Al 0 0 0 .0059 .0059 .0059 -.0004 -.0004 -.0004 Si 3/8 0 .25 .0051 .0048 .0048 0 0 0