Bridgmanite
(Mg0.75,Fe0.25)SiO3 (x = 0.25)
third-order Birch-Murnaghan · Original · 2002
Why this differs from similar rows?
EOS-derived volumetric fit for x=0.25, spin-polarized with Fe on the large 4c site (V0=160.5, K0=270, K'=3.96); sibling row instead reports VRH-averaged elastic-constant moduli.
V₀
160.5
ų
Unit cell
K₀
270
GPa
Unknown
K′
3.960
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 160.5 | 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 |
|---|---|
| MgO | 0.75 |
| FeO | 0.25 |
| SiO2 | 1 |
Formula: (Mg0.75Fe0.25)SiO3
Conditions & method
- Tref
- —
- Pref
- —
- Structure
- orthorhombic perovskite (Pbnm/Pnma)
- Method
- first-principles DFT / ab initiofirst-principles plane-wave pseudopotential DFT (LDA), spin-polarized, static (0 K)
- Sample
- static LDA calculation, 20-atom unit cell with one Fe on large 4c site
Source
- Paper
- Elasticity of (Mg,Fe)SiO3‐perovskite at high pressures
- Authors
- Boris Kiefer; Lars Stixrude; Renata M. Wentzcovitch
- DOI
- 10.1029/2002gl014683
- Year
- 2002
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
... and V0 = 160.5 Å^3, K0 = 270.0 GPa, K'0 = 3.96 for x = 0 and x = 0.25, repectively.
Additional notes
notes
Iron fixed in high-spin state; Fe→Mg substitution on large (4c) site.