Periclase
MgO
unknown · Original · 2022
V₀
11.33682
cm³/mol
Molar
K₀
160.205
GPa
Isothermal
K′
4.179
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 11.33682 | cm³/mol | Molar | — |
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 |
Formula: MgO
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initioweighted least-squares fit to ab-initio isentropic stiffness tensor data (Karki et al. 2000); scalar EOS parameters fitted simultaneously with anisotropic parameters
- Sample
- ab-initio simulated periclase (Karki et al. 2000 dataset)
Source
- Paper
- An anisotropic equation of state for high-pressure, high-temperature applicatio…
- Authors
- Robert Myhill
- DOI
- 10.1093/gji/ggac180
- Year
- 2022
- Journal
- Geophysical Journal International
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 2: 'The scalar equation of state formulation is that of Stixrude & Lithgow-Bertelloni (2005). The following parameters were used for the volumetric part of the isotropic model: V0: 11.33682 cm3 mol-1, K0: 160.20484 GPa, K'0: 4.17945, Θ0: 767.09770 K, γ0: 1.53632 and q0: 1.01212. All of these parameters were optimized apart from the Debye temperature Θ0, which was fixed at the value given by Stixrude & Lithgow-Bertelloni (2011).'
Additional notes
Theta0 K
767.0977
Theta0 determination
fixed at value given by Stixrude & Lithgow-Bertelloni (2011)
gamma0
1.53632
q0
1.01212
anisotropic parameters
Table 2 provides anisotropic state tensor Ψ parameters (a_pq, b_1pq–b_4pq, c_1pq–c_4pq) for pq = 11 and 44; b3 and b4 have units of GPa-1
data source
ab-initio data from Karki et al. (2000)