Materials Data on MgSiO3 by Materials Project

Abstract

MgSiO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent O2- atoms to form distorted MgO6 octahedra that share corners with nine equivalent SiO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one SiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There are three shorter (2.01 Å) and three longer (2.20 Å) Mg–O bond lengths. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with nine equivalent MgO6 octahedra, edges with three equivalent SiO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 40–60°. There is three shorter (1.78 Å) and three longer (1.85 Å) Si–O bond length. O2- is bonded in a distorted see-saw-like geometry to two equivalent Mg2+ and two equivalent Si4+ atoms.