Materials Data on Rb5Bi4 by Materials Project

Abstract

Bi4Rb5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are five inequivalent Rb sites. In the first Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.92–4.02 Å. In the second Rb site, Rb is bonded in a 7-coordinate geometry to seven Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.91–4.01 Å. In the third Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.96–4.02 Å. In the fourth Rb site, Rb is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Rb–Bi bond distances ranging from 3.90–4.12 Å. In the fifth Rb site, Rb is bonded in a distorted square co-planar geometry to four Bi atoms. There are two shorter (3.81 Å) and two longer (3.84 Å) Rb–Bi bond lengths. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a 9-coordinate geometry to eight Rb and one Bi atom. The Bi–Bi bond length is 3.01 Å. In the second Bi site, Bi is bonded in a 9-coordinate geometry to eight Rb and one Bi atom. The Bi–Bi bond length is 3.02 Å. In the third Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two Bi atoms. The Bi–Bi bond length is 3.07 Å. In the fourth Bi site, Bi is bonded in a 9-coordinate geometry to seven Rb and two Bi atoms.