Materials Data on CoWO4 by Materials Project

Abstract

CoWO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form distorted WO6 octahedra that share corners with eight equivalent CoO6 octahedra and edges with two equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of W–O bond distances ranging from 1.84–2.12 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with eight equivalent WO6 octahedra and edges with two equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 46–55°. There are a spread of Co–O bond distances ranging from 2.10–2.13 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent W6+ and one Co2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one W6+ and two equivalent Co2+ atoms.