Materials Data on Rb4(BS)9 by Materials Project

Abstract

Rb4(BS)9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Rb–S bond distances ranging from 3.56–3.99 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Rb–S bond distances ranging from 3.34–3.76 Å. In the third Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to seven S+1.44- atoms. There are a spread of Rb–S bond distances ranging from 3.39–3.55 Å. In the fourth Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S+1.44- atoms. There are a spread of Rb–S bond distances ranging from 3.43–3.81 Å. There are nine inequivalent B1+ sites. In the first B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.76–1.87 Å. In the second B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.77–1.86 Å. In the third B1+ site, B1+ is bonded in a trigonal planar geometry to three S+1.44- atoms. There are a spread of B–S bond distances ranging from 1.77–1.86 Å. In the fourth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the fifth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the sixth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.86 Å. In the seventh B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the eighth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. In the ninth B1+ site, B1+ is bonded in a single-bond geometry to one S+1.44- atom. The B–S bond length is 1.87 Å. There are nine inequivalent S+1.44- sites. In the first S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Rb1+ and two B1+ atoms. In the second S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Rb1+ and one B1+ atom. In the third S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Rb1+ and one B1+ atom. In the fourth S+1.44- site, S+1.44- is bonded in a distorted single-bond geometry to five Rb1+ and one B1+ atom. In the fifth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Rb1+ and two B1+ atoms. In the sixth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to two Rb1+ and two B1+ atoms. In the seventh S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Rb1+ and two B1+ atoms. In the eighth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Rb1+ and two B1+ atoms. In the ninth S+1.44- site, S+1.44- is bonded in a distorted water-like geometry to three Rb1+ and two B1+ atoms.