Materials Data on CsSO2F by Materials Project

Abstract

CsSO2F crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to six equivalent O2- and four equivalent F1- atoms. There are a spread of Cs–O bond distances ranging from 3.18–3.37 Å. There are a spread of Cs–F bond distances ranging from 3.31–3.62 Å. S4+ is bonded in a trigonal non-coplanar geometry to two equivalent O2- and one F1- atom. Both S–O bond lengths are 1.48 Å. The S–F bond length is 1.81 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S4+ atom. F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one S4+ atom.