Material name Brookite
Composition TiO2
Chemical formula weight 79.87
System Orthorhombic
Temperature (ºC) 25
a (Å), b (Å), c (Å) 9.174(2) 5.449(2) 5.138(2) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 257
Calculated density (g/p3) 4.13
Z 8
Space group Pbca (No.61)
atom site g x/a y/b z/c B2)
Ti 8c 1 0.1289(1) 0.0972(1) 0.8628(1) 0.37(3)
O1 8c 1 0.0095(4) 0.1491(5) 0.1835(5) 0.46(6)
O2 8c 1 0.2314(4) 0.1110(4) 0.5366(6) 0.53(7)

Reference: E.P. Meagher and G.A. Lager, The Canadian Mineralogist, 17, 77 (1979).