Bridgmanite
MgSiO3
third-order Birch-Murnaghan · Original · 1993
Why this differs from similar rows?
Ab initio calculation for a hypothetical cubic phase (K0=258, K'0=4.0); sibling row is for the Pbnm (orthorhombic) phase of the same composition (K0=259, K'0=3.9).
V₀
—
Unknown basis
K₀
258
GPa
Unknown
K′
4
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 | 1 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- cubic perovskite (Pm-3m)
- Method
- molecular dynamicsab initio (LDA pseudopotential plane-wave) constant-pressure molecular dynamics / structural optimization, static (zero temperature)
- Sample
- ab initio calculated hypothetical cubic phase
Source
- Paper
- Ab initiomolecular dynamics with variable cell shape: Application toMgSiO3
- Authors
- Renata M. Wentzcovitch; José Luı́s Martins; G. D. Price
- DOI
- 10.1103/physrevlett.70.3947
- Year
- 1993
- Journal
- Physical Review Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
These and their pressure derivatives are K0 = 259 and 258 GPa and K'0 = 3.9 and 4.0 for the Pbnm and cubic phases, respectively.
Additional notes
zero pressure lattice parameter calc Angstrom
3.472
note
The calculated zero pressure lattice parameter of the Pm3m is 3.472 Å (in contrast to 3.48 [28]).