Davemaoite
CaSiO3
unknown · Original · 1995
Why this differs from similar rows?
From Table 6 static lattice-energy WMIN calculation (K0=0.247 TPa); sibling row 1287 is from Table 7's separate pressure-dependence WMIN calculation (K0=0.245 TPa).
V₀
47.34
ų
Unit cell
K₀
247
GPa
Unknown
K′
5.090
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 47.34 | 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
- unknownstatic energy minimization with empirical interatomic potentials (WMIN program)
- Sample
- Table 6, calc (WMIN), this study
Source
- Paper
- Calculation models of structures and physical properties of CaSiO3, CaMgSi2O6, …
- Authors
- Taketoshi Taniguchi; Masayuki Okuno; Takeo MATSUMOTΟ
- DOI
- 10.2465/minerj.17.290
- Year
- 1995
- Journal
- Mineralogical Journal
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
TABLE 6. Calculated and observed structure, bulk modulus and elastic constants of CaSiO3 perovskite. calc (WMIN): lattice parameter a/Å 3.62; unit cell volume V/Å3 47.34; bulk modulus / TPa 0.247; dK0/dP 5.09.
Additional notes
note
Values obtained from static lattice-energy calculation, not from an EOS fit to compression data
lattice parameter a A
3.62
elastic constants TPa
{
"c11": 0.345,
"c12": 0.195
}