| Material name | Pyrope | |||||
| Composition | Mg3Al2(SiO4)3 | |||||
| Chemical formula weight | 403.13 | |||||
| System | Cubic | |||||
| Temperature (ºC) | r.t. | |||||
| a (Å), b (Å), c (Å) | 11.4582(5) | 11.4582(5) | 11.4582(5) | |||
| α (deg), β (deg), γ (deg) | 90 | 90 | 90 | |||
| Unit cell volume (Å3) | 1504.4 | |||||
| Calculated density (g/㎝3) | 3.56 | |||||
| Z | 8 | |||||
| Space group | Ia3d (No.230) | |||||
| atom | site | g | x/a | y/b | z/c | B (Å2) |
| Mg | 24c | 1 | 1/8 | 0 | 1/4 | 0.652 |
| Al | 16a | 1 | 0 | 0 | 0 | 0.312 |
| Si | 24d | 1 | 3/8 | 0 | 1/4 | 0.295 |
| O | 96h | 1 | 0.03301(3) | 0.05024(3) | 0.65329(3) | 0.488 |
Reference: H. Sawada, Journal of Solid State Chemistry, 142, 273 (1999).