Material name Anatase
Composition TiO2
Chemical formula weight 79.87
System Tetragonal
Temperature (ºC) 25
a (Å), b (Å), c (Å) 3.7842(13) 3.7842(13) 9.5146(15) @
α (deg), β (deg), γ (deg) 90 90 90 @
Unit cell volume (Å3) 136.3
Calculated density (g/p3) 3.89
Z 4
Space group I41/amd (No.141)
atom site g x/a y/b z/c B2)
Ti 4a 1 0 0 0 0.39(6)
O 8e 1 0 0 0.2081(2) 0.61(9)

Reference: M. Horn, C.F. Schwerdtfeger, and E.P. Meagher, Zeitschrift für Kristallographie, 136, 273 (1972).