Materials Data on Er5Bi3 by Materials Project

Abstract

Er5Bi3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Er–Bi bond distances ranging from 3.10–3.52 Å. In the second Er site, Er is bonded in a 6-coordinate geometry to six Bi atoms. There are a spread of Er–Bi bond distances ranging from 3.10–3.55 Å. In the third Er site, Er is bonded to five Bi atoms to form distorted edge-sharing ErBi5 square pyramids. There are a spread of Er–Bi bond distances ranging from 3.18–3.24 Å. In the fourth Er site, Er is bonded in a 5-coordinate geometry to five Bi atoms. There are a spread of Er–Bi bond distances ranging from 3.05–3.37 Å. There are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 8-coordinate geometry to eight Er atoms. In the second Bi site, Bi is bonded in a 9-coordinate geometry to nine Er atoms.