Materials Data on Cs2W(OF2)2 by Materials Project

Abstract

Cs2WO2F4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to four equivalent O2- and eight equivalent F1- atoms. There are a spread of Cs–O bond distances ranging from 3.21–3.45 Å. There are a spread of Cs–F bond distances ranging from 3.24–3.40 Å. W6+ is bonded in an octahedral geometry to two equivalent O2- and four equivalent F1- atoms. Both W–O bond lengths are 1.84 Å. All W–F bond lengths are 1.98 Å. O2- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W6+ atom. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one W6+ atom.