Materials Data on NaWO4 by Materials Project

Abstract

NaWO4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Na–O bond distances ranging from 2.38–2.49 Å. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with three equivalent WO6 octahedra and edges with two equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Na–O bond distances ranging from 2.33–2.53 Å. There are two inequivalent W sites. In the first W site, W is bonded to six O atoms to form distorted WO6 octahedra that share corners with three equivalent NaO6 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of W–O bond distances ranging from 1.79–2.26 Å. In the second W site, W is bonded in a 6-coordinate geometry to six O atoms. There are a spread of W–O bond distances ranging from 1.79–2.31 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two Na and one W atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to three W atoms. In the third O site, O is bonded in a trigonal planar geometry to one Na and two W atoms. In the fourth O site, O is bonded in a rectangular see-saw-like geometry to three Na and one W atom. In the fifth O site, O is bonded in a distorted linear geometry to two W atoms. In the sixth O site, O is bonded in a bent 120 degrees geometry to two W atoms. In the seventh O site, O is bonded in a distorted rectangular see-saw-like geometry to three Na and one W atom. In the eighth O site, O is bonded in an L-shaped geometry to two Na atoms.