Materials Data on MgSiO4 by Materials Project

Abstract

MgSiO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2/m space group. The structure is three-dimensional. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with eight equivalent SiO6 octahedra and edges with two equivalent MgO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There are four shorter (2.03 Å) and two longer (2.14 Å) Mg–O bond lengths. Si is bonded to six O atoms to form SiO6 octahedra that share corners with eight equivalent MgO6 octahedra and edges with two equivalent SiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–51°. There is two shorter (1.69 Å) and four longer (1.85 Å) Si–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to one Mg and two equivalent Si atoms. In the second O site, O is bonded in a distorted T-shaped geometry to two equivalent Mg and one Si atom.