Bridgmanite
Al2O3
third-order Birch-Murnaghan · Original · 2005
V₀
43.22
ų/f.u.
Formula unit
K₀
202
GPa
Isothermal
K′
3.950
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 43.22 | ų/f.u. | Formula unit | — |
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 |
|---|---|
| Al2O3 | 1 |
Formula: Al2O3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- first-principles DFT / ab initiofirst-principles static calculation (DFT-LDA)
- Sample
- —
Source
- Paper
- Effect of chemistry on the stability and elasticity of the perovskite and post‐…
- Authors
- Razvan Caracas; R. E. Cohen
- DOI
- 10.1029/2005gl023164
- Year
- 2005
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1, Al2O3 pv: V0 = 43.22(39.93) Å^3/3 O atoms, K0 = 202(223) GPa, K' = 3.95(4.22); LDA value with GGA in parentheses. Al2O3 end-member of the MgSiO3-FeSiO3-Al2O3 system studied for lowermost-mantle pv/ppv phases.
Additional notes
exchange correlation
LDA
note
Al2O3 end-member component of lower-mantle bridgmanite/post-perovskite solid solution