Material name Rutile
Composition TiO2
Chemical formula weight 79.87
System Tetragonal
Temperature (ºC) 25
a (Å), b (Å), c (Å) 4.593(2) 4.593(2) 2.959(2) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 62.4
Calculated density (g/p3) 4.25
Z 2
Space group P42/mnm (No.136)
atom site g x/a y/b z/c B2)
Ti 2a 1 0 0 0 0.42(6)
O 4f 1 0.3051(7) 0.3051(7) 0 0.60(6)

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