Materials Data on Er3FeGe3 by Materials Project

Abstract

Er3FeGe3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 9-coordinate geometry to six Ge atoms. There are four shorter (2.94 Å) and two longer (3.04 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 1-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.90–3.06 Å. Fe is bonded to four equivalent Ge atoms to form distorted edge-sharing FeGe4 cuboctahedra. All Fe–Ge bond lengths are 2.50 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six Er, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.66 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to seven Er and two equivalent Ge atoms.