Bridgmanite

(Mg1-xFe2+x)SiO3, x = 0.125

unknown · Cited · 2016

V₀

163.7

Å³

Unit cell

K₀

246.700

GPa

Unknown

K′

4.030

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
163.7	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
FeO	0.125
SiO2	1

Formula: (Mg1-xFe2+x)SiO3

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: Fe2+-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: Cited (quoted from earlier work)

Evidence from the paper

Table 1: Fe2+-bdg (x = 0.125)a | V(Å3) 163.7 | K (GPa) 246.7 | G (GPa) 165.2 | K' 4.03 | G' 1.80 | References: Shukla et al. [2015a]. Values reported at 0 GPa and 300 K.

Additional notes

G0 GPa

165.2

1.8

VP VS VPhi

10.50 / 6.25 / 7.64

dK/dT 0GPa 300K GPa per K

-0.016

source reference

Shukla et al. [2015a]