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| Space group (no.) | Fm3̄m (225) |
| Formula weight (g mol−1) | 844.774 |
| Lattice parameter (Å) | a = 5.9791(2) |
| Cell volume (Å3) | 213.75(2) |
| Z (formula units per cell) | 4 |
| X-ray density (g cm−3) | 6.563 |
| Stephens anisotropic peak broadening parameters | S 400 = 0.16(2) |
| S 220 = 0.95(4) | |
| wRp | 0.107 |
| χ 2 | 3.263 |
