Materials Data on Er3Ga5 by Materials Project

Abstract

Er3Ga5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 5-coordinate geometry to nine Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.83–3.27 Å. In the second Er site, Er is bonded in a 10-coordinate geometry to ten Ga atoms. There are a spread of Er–Ga bond distances ranging from 2.96–3.30 Å. There are four inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to six Er and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.88 Å. In the second Ga site, Ga is bonded in a 1-coordinate geometry to five Er and five Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–3.03 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Er and four Ga atoms. In the fourth Ga site, Ga is bonded in a 9-coordinate geometry to six Er and three Ga atoms.