| Material name | Fluorite | |||||
| Composition | CaF2 | |||||
| Chemical formula weight | 78.07 | |||||
| System | Cubic | |||||
| Temperature (ºC) | r.t. | |||||
| a (Å), b (Å), c (Å) | 5.4631(4) | 5.4631(4) | 5.4631(4) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 90 | |||
| Unit cell volume (Å3) | 163.0 | |||||
| Calculated density (g/㎝3) | 3.18 | |||||
| Z | 4 | |||||
| Space group | Fm3m (No.225) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Ca | 4a | 1 | 0 | 0 | 0 | - |
| F | 8c | 1 | 1/4 | 1/4 | 1/4 | - |
Reference: S. Speziale and T.S. Duffy, Physics and Chemistry of Minerals, 29, 465 (2002).