| Name: | HARMUNITE | ||
| Specification: | [7], structure type - harmunite, Al-analogue, at 53.9 GPa | ||
| Formula: | Ca(Fe,Al)2O4 | ||
| Symmetry Class: | orthorhombic | ||
| Space Group: | P nma | ||
| Unit Cell Parameters: | a = 8.3001 | b = 2.7527 | c = 9.7030 | ||
| Number of Formula Unit: | Z = 4 | Unit Cell Volume, Å3: | Vc = 221.69 |
| Number of Atomic Position per full Unit Cell: | P/U = 28 | Molar Volume, cm3/mol: | Vm = 33.38 |
| Number of Reflexes used in Structure Determination: | NR = 254 | X-ray density, g/cm3: | p = 5.85 |
| R-factor: | R = 0.0509 | MU, 1/cm: | µ = 482.763 |
| Wave Length for Calculated Powder Diffraction Patterns: | Co=1.78892 | Mass attenuation coefficient, cm2/g: | µ/p = 82.504 |
| Theta-Interval for CPDP: | T/I = 1-45 | ||