Bridgmanite
(Mg1-xFe3+x)(Si1-xFe3+x)O3, x = 0.125 (Fe3+-bdg)
unknown · Original · 2016
V₀
168
ų
Unit cell
K₀
233.600
GPa
Unknown
K′
4.050
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 168 | 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 | 0.875 |
| Fe2O3 | 0.125 |
| SiO2 | 0.875 |
Formula: (Mg1-xFe3+x)(Si1-xFe3+x)O3
Conditions & method
- Tref
- 300 K
- Pref
- —
- Structure
- perovskite (unspecified)
- Method
- DFT+U / DFT+DMFTab initio LDA + Usc quasiharmonic calculation
- Sample
- Table 1 row: Fe3+-bdg (x = 0.125)
Source
- Paper
- Thermoelasticity of Fe3+‐ and Al‐bearing bridgmanite: Effects of iron spin cros…
- Authors
- Gaurav Shukla; Matteo Cococcioni; Renata M. Wentzcovitch
- DOI
- 10.1002/2016gl069332
- Year
- 2016
- Journal
- Geophysical Research Letters
- Origin
- Original (measured or fitted in the source paper)
Evidence from the paper
Table 1: Fe3+-bdg (x = 0.125) | V(Å3) 168.0 | K (GPa) 233.6 | G (GPa) 143.1 | K' 4.05 | G' 1.88 | References: This study. Values at 0 GPa and 300 K.
Additional notes
G0 GPa
143.1
Gp
1.88
VP VS VPhi
9.98 / 5.80 / 7.40
dK/dT 0GPa 300K GPa per K
-0.0191
spin crossover note
HS to LS crossover of [Fe3+]Si at ~43 GPa (static); 300 K transition width ~8 GPa; ΔV(HS→LS) ~ −0.15% for x = 0.01