| Material name | Spinel | |||||
| Composition | MgAl2O4 | |||||
| Chemical formula weight | 142.27 | |||||
| System | Cubic | |||||
| Temperature (ºC) | 25 | |||||
| a (Å), b (Å), c (Å) | 8.0942(6) | 8.0942(6) | 8.0942(6) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 90 | |||
| Unit cell volume (Å3) | 530.3 | |||||
| Calculated density (g/㎝3) | 3.56 | |||||
| Z | 8 | |||||
| Space group | Fd3m (No.227, Origin choice 2) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Mg1 | 8a | 0.870 | 1/8 | 1/8 | 1/8 | 0.39(2) |
| Al1 | 8a | 0.130 | 1/8 | 1/8 | 1/8 | 0.39(2) |
| Al2 | 16d | 0.935 | 1/2 | 1/2 | 1/2 | 0.32(2) |
| Mg2 | 16d | 0.065 | 1/2 | 1/2 | 1/2 | 0.32(2) |
| O | 32e | 1 | 0.26342(7) | 0.26342(7) | 0.26342(7) | 0.39(2) |
| Comment | B values were calculated on the basis of Ueq values in the reference. | |||||
Reference: S. Carbonin, F. Martignago, G. Menegazzo, and A.D. Negro, Physics and Chemistry of Minerals, 29, 503 (2002).