Materials Data on Mg2SiO4 by Materials Project

Abstract

Mg2SiO4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Mg–O bond distances ranging from 1.96–2.48 Å. Si4+ is bonded to six O2- atoms to form corner-sharing SiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.75 Å) and two longer (1.79 Å) Si–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Mg2+ and two equivalent Si4+ atoms to form a mixture of distorted edge, face, and corner-sharing OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second O2- site, O2- is bonded to five equivalent Mg2+ and one Si4+ atom to form distorted OMg5Si octahedra that share corners with seventeen OMg4Si2 octahedra, edges with eight equivalent OMg5Si octahedra, and faces with four equivalent OMg4Si2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.