Bridgmanite
MgSiO3
fourth-order Birch-Murnaghan · Original · 2009
Why this differs from similar rows?
Reports the Pm-3m hypothetical cubic MgSiO3 polymorph from Table 1, a different computed space-group structure than the Pbnm and P4mbm rows.
V₀
168.33
ų
Unit cell
K₀
258.340
GPa
Isothermal
K′
4.070
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 168.33 | 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
- cubic perovskite (Pm-3m)
- Method
- first-principles DFT / ab initiofirst-principles DFT (LDA, plane-wave pseudopotential), E-V fit
- Sample
- computed crystal (20-atom supercell)
Source
- Paper
- PRESSURE-RELATED PHASE STABILITY OF MgSiO3and(Mg0.75, Fe0.25)SiO3 AT LOWER MANT…
- Authors
- Liwei Deng; Jijun Zhao; Hong Liu; Di Wu; Zizheng Gong
- DOI
- 10.1142/s0217979209053047
- Year
- 2009
- Journal
- International Journal of Modern Physics B
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1: MgSiO3, Pm3̄m, V0 = 168.33 Å^3, B0 = 258.34 GPa, B0' = 4.07.