List Mg-Perovskite Bridgmanite

General Information

Formula: MgSiO3, Z = 4
Space group: #62, Pbnm
Lattice parameters:
a (Å) b (Å) c (Å) α (°) β (°) γ (°) volume (Å3)
4.711 4.88 6.851 90 90 90

Atom Coordinates

Inequivalent atomic positions

Atom x y z site
Mg 0.517400 0.561400 0.250000 -
Si 0.500000 0.000000 0.500000 -
O1 0.112800 0.460800 0.250000 -
O2 0.192800 0.199500 0.552800 -

3D Interactive Structure


Structure source: Mg-Perovskite Bridgmanite

Input download

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Reference

R. M. Wentzcovitch, J. L. Martins, and G. D. Price, Ab initio molecular dynamics with variable cell shape: application to MgSiO3 , PHYSICAL REVIEW LETTERS (1993) https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.70.3947