Post-perovskite
MgSiO3
Birch-Murnaghan (order unspecified) · Cited · 2006
Why this differs from similar rows?
Table cites Tsuchiya et al. (2004) DFT calculation; other rows in this compilation table cite different original studies (Oganov and Ono 2004; Ono et al. 2006).
V₀
163.81
ų
Unit cell
K₀
222
GPa
Unknown
K′
4.200
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 163.81 | 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 |
| SiO2 | 1 |
Formula: MgSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- post-perovskite (CaIrO3-type, Cmcm)
- Method
- first-principles DFT / ab initiofirst-principles calculation (DFT)
- Sample
- Tsuchiya et al. [2004] DFT (Table 2, row 4)
Source
- Paper
- Stability and equation of state of the post‐perovskite phase in MgGeO3 to 2 Mbar
- Authors
- Atsushi Kubo; Boris Kiefer; Guoyin Shen; Vitali B. Prakapenka; R. J. Cava; T. S. Duffy
- DOI
- 10.1029/2006gl025686
- Year
- 2006
- Journal
- Geophysical Research Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 2: MgSiO3 163.81(5) 222 (1) 4.2(1) DFT, 3 (Tsuchiya et al. [2004]).