Materials Data on Bi4Ir by Materials Project

Abstract

IrBi4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight Bi atoms. There are a spread of Ir–Bi bond distances ranging from 2.85–2.89 Å. In the second Ir site, Ir is bonded in a body-centered cubic geometry to eight Bi atoms. There are four shorter (2.88 Å) and four longer (2.90 Å) Ir–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 Ir atoms. In the second Bi site, Bi is bonded in a distorted water-like geometry to two Ir atoms. In the third Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Ir atoms. In the fourth Bi site, Bi is bonded in a distorted water-like geometry to two equivalent Ir atoms.