Periclase
MgO
third-order Birch-Murnaghan · Original · 2000
V₀
11.2382
cm³/mol
Molar
K₀
160.500
GPa
Isothermal
K′
4.100
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 11.2382 | 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
- 300 K
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- molecular dynamicsmolecular dynamics simulation (fit to simulated P-V relation up to 20 GPa)
- Sample
- MD simulated MgO (breathing shell model)
Source
- Paper
- The MD simulation of the equation of state of MgO: Application as a pressure ca…
- Authors
- Masanori Matsui; Stephen C. Parker; Maurice Leslie
- DOI
- 10.2138/am-2000-2-308
- Year
- 2000
- Journal
- American Mineralogist
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
A third-order Birch-Murnaghan fitting to the MD values at pressures up to 20 GPa yielded KT = 160.5 (2) GPa and K'T = 4.10 (2) ... The MD computed V/V0 values, where V0 (= 11.2382 cm3/mol) is the molar volume at 300 K, 0 GPa, are shown in Table 3
Additional notes
note
V0 is the MD-simulated molar volume at 300 K and 0 GPa used as the reference volume for the T-P-V EOS table (Table 3); simulated molar volumes agree with experiment within 0.1% from 0 to 50 GPa at 300 K