Grossular Geiger C A, Armbruster T American Mineralogist 82 (1997) 740-747 Mn3Al2Si3O12 spessartine and Ca3Al2Si3O12 grossular garnet: Structural dynamics and thermodynamic properties Sample: at T = 100 K _database_code_amcsd 0001923 11.837 11.837 11.837 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) CaX 0 .25 .125 .00296 .00296 .0021 .0003 0 0 AlY 0 0 0 .00246 .00246 .00246 -.0000 -.0000 -.0000 Si 3/8 0 .25 .0022 .0022 .0022 0 0 0 O .03823 .04542 .65125 .0034 .0040 .0026 .0000 -.0005 .0011