Davemaoite
CaSiO3
unknown · Cited · 2021
Why this differs from similar rows?
Table 2 Theory compilation; this row cites Akber-Knutson et al. (2002), using the VIBC ab initio Gordon-Kim model, distinct from the other theory/experiment rows.
V₀
45.9
ų
Unit cell
K₀
228
GPa
Unknown
K′
4.300
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 45.9 | 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
- perovskite (unspecified)
- Method
- first-principles DFT / ab initiotheory (VIBC—ab initio Gordon–Kim model)
- Sample
- Akber-Knutson et al. (2002) (VIBC)
Source
- Paper
- Phase Relations in CaSiO3 System up to 100 GPa and 2500 K
- Authors
- Dinara N. Sagatova; Anton Shatskiy; Nursultan E. Sagatov; Konstantin D. Litasov
- DOI
- 10.1134/s0016702921080073
- Year
- 2021
- Journal
- Geochemistry International
- Origin
- Cited (quoted from earlier work)
Evidence from the paper
Table 2, CaSiO3-pv, Theory: Akber-Knutson et al. (2002) (VIBC*) V0 = 45.90(2) Å3, K0 = 228(2) GPa, K' = 4.3(1); footnote: '*VIBC—ab initio Gordon–Kim model'