Materials Data on Rb3BS3 by Materials Project

Abstract

Rb3BS3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.32–3.61 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six S2- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.51 Å. In the third Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to four S2- atoms. There are a spread of Rb–S bond distances ranging from 3.33–3.43 Å. B3+ is bonded in a trigonal planar geometry to three S2- atoms. All B–S bond lengths are 1.84 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom. In the second S2- site, S2- is bonded in a distorted single-bond geometry to six Rb1+ and one B3+ atom. In the third S2- site, S2- is bonded in a distorted single-bond geometry to five Rb1+ and one B3+ atom.