Bridgmanite
(Mg1-xFe3+x)(Si1-xAlx)O3, x = 0.125 (Fe3+-Al-bdg)
unknown · Original · 2016
V₀
165.3
ų
Unit cell
K₀
239.400
GPa
Unknown
K′
4.050
dimensionless
Volume (V₀)
| Value | Unit | Basis | Z |
|---|---|---|---|
| 165.3 | 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 | 0.0625 |
| Al2O3 | 0.0625 |
| SiO2 | 0.875 |
Formula: (Mg1-xFe3+x)(Si1-xAlx)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+-Al-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+-Al-bdg (x = 0.125) | V(Å3) 165.3 | K (GPa) 239.4 | G (GPa) 156.3 | K' 4.05 | G' 1.83 | References: This study. Values at 0 GPa and 300 K.
Additional notes
G0 GPa
156.3
Gp
1.83
VP VS VPhi
10.34 / 6.11 / 7.56
dK/dT 0GPa 300K GPa per K
-0.0165
spin state note
[Fe3+]Mg remains HS (S = 5/2) throughout the lower mantle pressure range; no spin-crossover elastic anomalies