Material name Grossular
Composition Ca3Al2(SiO4)3
Chemical formula weight 450.45
System Cubic
Temperature (ºC) r.t.
a (Å), b (Å), c (Å) 11.8504(4) 11.8504(4) 11.8504(4) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 1664.2
Calculated density (g/p3) 3.60
Z 8
Space group Ia3d (No.230)
atom site g x/a y/b z/c B2)
Ca 24c 1 1/8 0 1/4 0.384
Al 16a 1 0 0 0 0.285
Si 24d 1 3/8 0 1/4 0.246
O 96h 1 0.03825(2) 0.04523(2) 0.65131(2) 0.367

Reference: H. Sawada, Journal of Solid State Chemistry, 142, 273 (1999).