Bridgmanite
(Mg0.75,Al0.25)(Al0.25,Si0.75)O3 (x=0.25, pyrope composition)
fourth-order Birch-Murnaghan · Original · 2002
Why this differs from similar rows?
Model 1 (random coupled Al-Fe substitution) MD simulation result; sibling row is Model 2 (adjacent-pair coupled substitution) for the same composition.
V₀
—
Unknown basis
K₀
182
GPa
Isothermal
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| — | — | Unknown basis | — |
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 | 0.75 |
| Al2O3 | 0.25 |
| SiO2 | 0.75 |
Formula: (Mg0.75Al0.25)(Al0.25Si0.75)O3
Conditions & method
- Tref
- 298 K
- Pref
- —
- Structure
- orthorhombic perovskite (Pbnm/Pnma)
- Method
- molecular dynamicsmolecular dynamics simulation (CMAS94 potential)
- Sample
- Model 1 (random coupled substitution) MD solid solution crystal
Source
- Paper
- Molecular dynamics simulation of MgSiO3-Al2O3 perovskite.
- Authors
- Tadashi Akamatsu; Ikumi KAMIOKA; Atsuhiro KIMURA; Katsuyuki Kawamura
- DOI
- 10.2465/jmps.97.13
- Year
- 2002
- Journal
- Journal of Mineralogical and Petrological Sciences
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
By applying the 4th order Birch-Murnaghan equation, zero-pressure bulk modulus at 298 K is calculated to be 182(2) GPa (Model 1) - 179(2) GPa (Model 2) for the solid solution with x=0.25, and 247.5(1) GPa for the end member x=0.00.
Additional notes
bulk modulus at 50GPa 298K
498 GPa (Model 1)
note
MD simulation result, not experimental; no numerical V0 or K' reported