| 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/㎝3) | 4.25 | |||||
| Z | 2 | |||||
| Space group | P42/mnm (No.136) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| 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).