Materials Data on MgWO4 by Materials Project

Abstract

MgWO4 is beta Vanadium nitride-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with four equivalent WO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 22–28°. There are a spread of Mg–O bond distances ranging from 2.06–2.12 Å. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with four equivalent MgO6 octahedra, edges with two equivalent MgO6 octahedra, and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 22–28°. There are a spread of W–O bond distances ranging from 1.85–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to two equivalent Mg2+ and one W6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mg2+ and two equivalent W6+ atoms.