Materials Data on CsH2SNO3 by Materials Project

Abstract

CsNH2SO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Cs–O bond distances ranging from 3.07–3.52 Å. N5+ is bonded in a distorted trigonal non-coplanar geometry to two equivalent H1+ and one S2- atom. Both N–H bond lengths are 1.02 Å. The N–S bond length is 1.71 Å. H1+ is bonded in a single-bond geometry to one N5+ atom. S2- is bonded in a tetrahedral geometry to one N5+ and three O2- atoms. All S–O bond lengths are 1.47 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Cs1+ and one S2- atom. In the second O2- site, O2- is bonded in a single-bond geometry to three equivalent Cs1+ and one S2- atom.