Davemaoite
CaSiO3
Birch-Murnaghan (order unspecified) · Cited · 2005
V₀
45.728
ų
Unit cell
K₀
246
GPa
Unknown
K′
3.500
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 45.728 | 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 |
|---|---|
| CaO | 1 |
| SiO2 | 1 |
Formula: CaSiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- cubic perovskite (Pm-3m)
- Method
- first-principles DFT / ab initioaverage of published theoretical calculations (empirical potentials to first-principles)
- Sample
- average of published theoretical results
Source
- Paper
- CaSiO3 perovskite at lower mantle pressures
- Authors
- Razvan Caracas; Renata M. Wentzcovitch; G. D. Price; John P. Brodholt
- DOI
- 10.1029/2004gl022144
- Year
- 2005
- Journal
- Geophysical Research Letters
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
'The average of the theoretical results is similar to the one obtained for the experimental data: V0 = 45.728 Å3, K0 = 246-305 GPa and K' = 3.5-4.3.'
Additional notes
note
Cited theoretical studies include Wentzcovitch et al. 1995; Chizmeshya et al. 1996; Stixrude et al. 1996; Swamy and Dubrovinsky 1997; Karki and Crain 1998; Hama and Suito 1998; Akber-Knutson et al. 2002