Materials Data on RbReSO3 by Materials Project

Abstract

RbReSO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 7-coordinate geometry to three equivalent S2- and seven O2- atoms. There are a spread of Rb–S bond distances ranging from 3.68–3.83 Å. There are a spread of Rb–O bond distances ranging from 2.96–3.43 Å. Re7+ is bonded in a tetrahedral geometry to one S2- and three O2- atoms. The Re–S bond length is 2.16 Å. There is one shorter (1.75 Å) and two longer (1.76 Å) Re–O bond length. S2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Re7+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one Re7+ atom.