Bridgmanite
MgSiO3
unknown · Original · 1993
V₀
24.56
cm³/mol
Molar
K₀
250
GPa
Unknown
K′
—
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 24.56 | cm³/mol | Molar | — |
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
- orthorhombic perovskite (Pbnm/Pnma)
- Method
- molecular dynamicsmolecular dynamics simulation (constant-pressure Parrinello-Rahman / constant-temperature Nose MD with pair-potential model)
- Sample
- Table 2 (第2表), 'MD' row for perovskite
Source
- Paper
- Computer Simulation of the Structural and Physical Properties of Minerals in th…
- Authors
- Masanori Matsui
- DOI
- 10.5940/jcrsj.35.190
- Year
- 1993
- Journal
- Nihon Kessho Gakkaishi
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
第2表 MgSiO3多形の構造および物性の実測値とMD値の比較(P=0GPa): perovskite (Pbnm) — V/(cm3 mol-1) MD 24.56; K0/GPa MD 250. Footnote b: MD計算值16). Text: 体積弾性率についても高精度で実測値を再現…ペロフスカイトについて…1%であった(第2表).
Additional notes
alpha MD
2.9 x10-5 K-1 (volume thermal expansivity, MD)
enthalpy MD
-7150.0 kJ mol-1
determination note
Values are MD-calculated (computed from simulation), not experimentally measured or fitted to an analytic EOS; no enum matches computed, so 'unknown' used.
deviation from obs
MD bulk modulus differs from observed by 1% for perovskite