Materials Data on RbSO3 by Materials Project

Abstract

RbSO3 crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 6-coordinate geometry to six O atoms. There are four shorter (2.97 Å) and two longer (3.08 Å) Rb–O bond lengths. In the second Rb site, Rb is bonded to eight O atoms to form corner-sharing RbO8 hexagonal bipyramids. There are a spread of Rb–O bond distances ranging from 2.97–3.17 Å. There are three inequivalent S sites. In the first S site, S is bonded in a trigonal non-coplanar geometry to three equivalent O atoms. All S–O bond lengths are 1.47 Å. In the second S site, S is bonded in a trigonal non-coplanar geometry to three equivalent O atoms. All S–O bond lengths are 1.47 Å. In the third S site, S is bonded in a trigonal non-coplanar geometry to three equivalent O atoms. All S–O bond lengths are 1.47 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three Rb and one S atom. In the second O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom. In the third O site, O is bonded in a distorted single-bond geometry to two Rb and one S atom.