Ferropericlase
Mg1-xFexO (x = 0.17-0.20)
Birch-Murnaghan (order unspecified) · Cited · 2015
Why this differs from similar rows?
Value is for the high-spin (HS) state (B_HS = 210 GPa, B' fixed to 4, from ref [21]); the sibling row is the low-spin (LS) state of the same composition.
V₀
—
Unknown basis
K₀
210
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 | 0.83 |
| FeO | 0.17 |
Formula: Mg1-xFexO
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initiotheoretical calculation (LDA+GTB thermodynamic modeling; parameters taken from literature)
- Sample
- high-spin (HS) state
Source
- Paper
- Spin crossover and Mott—Hubbard transition under high pressure and high tempera…
- Authors
- С. Г. Овчинников; Т. М. Овчинникова; V.V. Plotkin; P. G. Dyadkov
- DOI
- 10.1088/1742-6596/653/1/012095
- Year
- 2015
- Journal
- Journal of Physics Conference Series
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
We have calculated the HS and LS unit cell volumes from the Birch–Murnagan equation of states with B' = 4 and different modulus B_HS = 210 GPA, B_LS = 161 GPA [21].
Additional notes
reference
[21]
note
No V0 reported; unit-cell volumes were calculated from the EOS. Zero-temperature spin crossover pressure Pc = 56 GPa for ferropericlase from synchrotron Mössbauer measurements [20].