List Mg-Perovskite Bridgmanite

General Information

Chemical formula: MgSiO3
Number of formula in unit cell: 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

No available atom coordinates input card. Please contact admin.

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





sponsors | home | links | contact us