Materials Data on MoWO6 by Materials Project

Abstract

WMoO6 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 MoO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All W–O bond lengths are 1.93 Å. Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedral tilt angles are 18°. All Mo–O bond lengths are 1.93 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one W6+ and one Mo6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to one W6+ and one Mo6+ atom.