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 = 293 K _database_code_amcsd 0001924 11.847 11.847 11.847 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 .0064 .0064 .0042 .0010 0 0 AlY 0 0 0 .0046 .0046 .0046 -.0001 -.0001 -.0001 Si 3/8 0 .25 .0040 .0040 .0040 0 0 0 O .03823 .04528 .65137 .0049 .0063 .0044 .0002 -.0005 .0004