Materials Data on Na2WO6 by Materials Project

Abstract

Na2WO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Na–O bond distances ranging from 2.40–3.03 Å. In the second Na site, Na is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Na–O bond distances ranging from 2.29–2.70 Å. W is bonded in a tetrahedral geometry to four O atoms. There are a spread of W–O bond distances ranging from 1.81–1.84 Å. There are six inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to three Na and one W atom. In the second O site, O is bonded in a T-shaped geometry to two Na and one W atom. In the third O site, O is bonded to three Na and one W atom to form distorted edge-sharing ONa3W trigonal pyramids. In the fourth O site, O is bonded in a distorted single-bond geometry to one Na and one O atom. The O–O bond length is 1.23 Å. In the fifth O site, O is bonded in a 3-coordinate geometry to two Na and one W atom. In the sixth O site, O is bonded in a distorted trigonal planar geometry to two Na and one O atom.