Materials Data on CrWO6 by Materials Project

Abstract

WCrO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There is four shorter (1.93 Å) and two longer (1.94 Å) W–O bond length. Cr6+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 30–31°. There is two shorter (1.82 Å) and four longer (1.83 Å) Cr–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Cr6+ atom.