Materials Data on Bi14Rh3 by Materials Project

Abstract

Rh3Bi14 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a body-centered cubic geometry to eight Bi atoms. There are a spread of Rh–Bi bond distances ranging from 2.88–2.95 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to eight Bi atoms. There are four shorter (2.85 Å) and four longer (2.91 Å) Rh–Bi bond lengths. There are four inequivalent Bi sites. In the first Bi site, Bi is bonded in a distorted water-like geometry to two Rh and one Bi atom. The Bi–Bi bond length is 3.61 Å. In the second Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Rh and one Bi atom. The Bi–Bi bond length is 3.49 Å. In the third Bi site, Bi is bonded in a 10-coordinate geometry to ten Bi atoms. There are a spread of Bi–Bi bond distances ranging from 3.43–3.59 Å. In the fourth Bi site, Bi is bonded in a distorted water-like geometry to two Rh and two equivalent Bi atoms.