Periclase
MgO
unknown · Cited · 1995
Why this differs from similar rows?
Quasi-harmonic PIB model calculation of Isaak et al. [1990] (Table 1, QH PIB column); other columns in this table cite different original studies/methods.
V₀
18.66
ų
Unit cell
K₀
180.100
GPa
Isothermal
K′
4.150
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 18.66 | 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 |
Formula: MgO
Conditions & method
- Tref
- 300 K
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initioquasi-harmonic PIB model calculation
- Sample
- Table 1, QH PIB column (Isaak et al. 1990), 300 K
Source
- Paper
- High pressure effects on thermal properties of MgO
- Authors
- Iris Inbar; R. E. Cohen
- DOI
- 10.1029/95gl01086
- Year
- 1995
- Journal
- Geophysical Research Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1: QH PIBa column: V [A3] 18.66; K_T [GPa] 180.1; K_T' 4.15; K_T'' -0.026; alpha x 10^-6 [K^-1] 23.9. a) QH:Quasi-harmonic, Isaak et al. [1990]
Additional notes
K T second derivative
-0.026
alpha x1e-6 K-1
23.9