Materials Data on Li12(WO4)7 by Materials Project

Abstract

Li12(WO4)7 crystallizes in the cubic P-43m space group. The structure is three-dimensional. Li is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Li–O bond distances ranging from 2.00–2.52 Å. There are two inequivalent W sites. In the first W site, W is bonded to six O atoms to form distorted edge-sharing WO6 octahedra. There are three shorter (1.83 Å) and three longer (2.17 Å) W–O bond lengths. In the second W site, W is bonded in a tetrahedral geometry to four equivalent O atoms. All W–O bond lengths are 1.82 Å. There are three inequivalent O sites. In the first O site, O is bonded in a see-saw-like geometry to three equivalent Li and one W atom. In the second O site, O is bonded in a trigonal planar geometry to two equivalent Li and one W atom. In the third O site, O is bonded to three equivalent Li and three equivalent W atoms to form distorted edge-sharing OLi3W3 octahedra.