Bridgmanite
MgSiO3 with 3.125 mol% Al2O3 via AlHM (Si -> AlH)
third-order Birch-Murnaghan · Original · 2005
Why this differs from similar rows?
3.125 mol% Al2O3 via the hydrous Al substitution mechanism (AlHM: Si->AlH); sibling rows use different Al content/substitution mechanisms.
V₀
42.2
ų
Unit cell
K₀
228
GPa
Isothermal
K′
3.850
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 42.2 | ų | Unit cell | — |
Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ ų/f.u. conversion is not applied automatically.
Composition
| Oxide | Molar |
|---|---|
| MgO | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- first-principles DFT / ab initiostatic ab-initio DFT (VASP, GGA), fit of internal energy vs volume
- Sample
- Table 1, Perovskite, Substitution: AlHM, 3.125 mol% Al2O3
Source
- Paper
- Effect of Al on the sharpness of the MgSiO3 perovskite to post‐perovskite phase…
- Authors
- S. Akber‐Knutson; Gerd Steinle‐Neumann; Paul D. Asimow
- DOI
- 10.1029/2005gl023192
- Year
- 2005
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1: Perovskite, AlHM, 3.125 mol%, V0 = 42.20 Å^3, K0 = 228 GPa, K' = 3.85. Footnote: 'in AIHM to 81/16 atoms'.
Additional notes
substitution mechanism
hydrous Al substitution (AlHM): Si -> AlH
normalization
normalized for approximately 5-atom unit cells; 81/16 atoms for AlHM