| 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/㎝3) | 3.89 | |||||
| Z | 4 | |||||
| Space group | I41/amd (No.141) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| 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).