Bridgmanite

MgSiO3

fourth-order Birch-Murnaghan · Original · 2009

Why this differs from similar rows?

Reports the Pbnm (orthorhombic) MgSiO3 polymorph from Table 1; other rows are different computed space-group polymorphs (P4mbm, Pm-3m), not repeat fits of one phase.

V₀

162.38

Å³

Unit cell

K₀

262.370

GPa

Isothermal

K′

3.870

dimensionless

Volume (V₀)

Value	Unit	Basis	Z
162.38	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	1
SiO2	1

Formula: MgSiO3

Conditions & method

T_ref: —
P_ref: —
Structure: orthorhombic perovskite (Pbnm/Pnma)
Method: first-principles DFT / ab initio
first-principles DFT (LDA, plane-wave pseudopotential), E-V fit
Sample: computed crystal (20-atom supercell)

Source

Paper: PRESSURE-RELATED PHASE STABILITY OF MgSiO3and(Mg0.75, Fe0.25)SiO3 AT LOWER MANT…
Authors: Liwei Deng; Jijun Zhao; Hong Liu; Di Wu; Zizheng Gong
DOI: 10.1142/s0217979209053047
Year: 2009
Journal: International Journal of Modern Physics B
Origin: Original (measured or fitted in the source paper)

Evidence from the paper

Table 1: MgSiO3, Pbnm, V0 = 162.38 Å^3, B0 = 262.37 GPa, B0' = 3.87. 'V0 is the cell volume at zero-pressure ambient conditions. B0 and B0' are the isothermal bulk module and its first pressure derivative.' 'all simulations in this work were performed at 0 K'.

Additional notes

rho0

4.13 g/cm^3

vB0

7.97 km/s