Materials Data on Er3Ga2 by Materials Project

Abstract

Er3Ga2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are three inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.88–3.64 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.98–3.52 Å. In the third Er site, Er is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.93–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 8-coordinate geometry to eight equivalent Er atoms. In the second Ga site, Ga is bonded in a body-centered cubic geometry to eight equivalent Er atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to nine Er atoms. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to nine Er and one Ga atom. The Ga–Ga bond length is 2.75 Å.