Materials Data on CsSO4 by Materials Project

Abstract

CsSO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cs is bonded in a 6-coordinate geometry to eleven O atoms. There are a spread of Cs–O bond distances ranging from 3.11–3.76 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.69 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one S atom. In the second O site, O is bonded in a single-bond geometry to four equivalent Cs and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent Cs and one S atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three equivalent Cs and one S atom.