Stishovite
SiO2
unknown · Original · 1991
V₀
45.54
Å
Unit cell
K₀
378
GPa
Unknown
K′
6.400
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 45.54 | Å | Unit cell | — |
| 45.5400 | ų | canonical (converted) | — |
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 |
|---|---|
| SiO2 | 1 |
Formula: SiO2
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- rutile-type (stishovite)
- Method
- first-principles DFT / ab initioab initio modified potential-induced-breathing (MPIB) electron-gas calculation with Gibbs free energy minimization over orthorhombic structural parameters
- Sample
- Table VI, zero-pressure properties, this study (MPIB calculation)
Source
- Paper
- Modified potential-induced-breathing model of potentials between close-shell io…
- Authors
- Huoyi Zhang; M. S. T. Bukowinski
- DOI
- 10.1103/physrevb.44.2495
- Year
- 1991
- Journal
- Physical review. B, Condensed matter
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table VI (Zero-pressure properties of stishovite), This study: Volume (Å) 45.54, c/a 0.681, u 0.311, K0 (GPa) 378, K0' 6.4±3.5.
Additional notes
c over a
0.681
u
0.311
note
Table header prints volume unit as 'Å'; almost certainly Å3 per unit cell.