Materials Data on NbWO7 by Materials Project

Abstract

(NbWO6)2O2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional and consists of four water molecules and one NbWO6 framework. In the NbWO6 framework, Nb is bonded to six O atoms to form NbO6 octahedra that share corners with two equivalent NbO6 octahedra and corners with four equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are four shorter (1.99 Å) and two longer (2.02 Å) Nb–O bond lengths. W is bonded to six O atoms to form WO6 octahedra that share corners with two equivalent WO6 octahedra and corners with four equivalent NbO6 octahedra. The corner-sharing octahedra tilt angles range from 36–37°. There are a spread of W–O bond distances ranging from 1.93–1.96 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent W atoms. In the second O site, O is bonded in a bent 150 degrees geometry to two equivalent Nb atoms. In the third O site, O is bonded in a bent 150 degrees geometry to one Nb and one W atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one Nb and one W atom.