Materials Data on CsLiWO4 by Materials Project

Abstract

CsLiWO4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to twelve equivalent O2- atoms. There are a spread of Cs–O bond distances ranging from 3.32–3.73 Å. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent WO4 tetrahedra. All Li–O bond lengths are 1.94 Å. W6+ is bonded to four equivalent O2- atoms to form WO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra. All W–O bond lengths are 1.81 Å. O2- is bonded in a distorted linear geometry to three equivalent Cs1+, one Li1+, and one W6+ atom.