Periclase
MgO
unknown · Cited · 1997
Why this differs from similar rows?
Table 1 (Theory) row citing Chang and Cohen (1984) pseudopotential calculation; other rows cite different original theoretical/experimental studies.
V₀
—
Unknown basis
K₀
146
GPa
Unknown
K′
—
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 |
Formula: MgO
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- B1 rocksalt (Fm-3m)
- Method
- first-principles DFT / ab initiofirst-principles pseudopotential calculation (cited)
- Sample
- Chang and Cohen (1984), theory
Source
- Paper
- Structure and elasticity of MgO at high pressure
- Authors
- Bijaya B. Karki; Lars Stixrude; Stewart J. Clark; M. C. Warren; Graeme J. Ackland; Jason Crain
- DOI
- 10.2138/am-1997-1-207
- Year
- 1997
- Journal
- American Mineralogist
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 1 (Theory): Chang and Cohen (1984) a0 = 4.191 Å, K0 = 146 GPa.
Additional notes
a0 lattice constant
4.191 Å