Bridgmanite

(Mg1-xAlx)(Si1-xAlx)O3, x = 0.125 (Al-bdg)

unknown · Original · 2016

V₀

164.1

Å³

Unit cell

K₀

242.500

GPa

Unknown

K′

4.060

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
164.1	Å³	Unit cell	—

Reported value and unit are preserved as extracted. Z (formula units per cell) is not stored yet, so molar ↔ Å³/f.u. conversion is not applied automatically.

Composition

Oxide	Molar
MgO	0.875
Al2O3	0.125
SiO2	0.875

Formula: (Mg1-xAlx)(Si1-xAlx)O3

Conditions & method

T_ref: 300 K
P_ref: —
Structure: perovskite (unspecified)
Method: DFT+U / DFT+DMFT
ab initio LDA + Usc quasiharmonic calculation
Sample: Table 1 row: 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: Al-bdg (x = 0.125) | V(Å3) 164.1 | K (GPa) 242.5 | G (GPa) 162.7 | K' 4.06 | G' 1.85 | References: This study. Text: 'For Al-bdg, calculated pressure derivatives of elastic moduli, K' and G', are 4.06 and 1.85, respectively.'

Additional notes

G0 GPa

162.7

1.85

VP VS VPhi

10.62 / 6.32 / 7.72

dK/dT 0GPa 300K GPa per K

-0.0116