Materials Data on Er3(FeGe)4 by Materials Project

Abstract

Er3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to six Ge atoms to form distorted edge-sharing ErGe6 octahedra. There are four shorter (2.92 Å) and two longer (2.98 Å) Er–Ge bond lengths. In the second Er site, Er is bonded in a 12-coordinate geometry to six equivalent Fe and six Ge atoms. There are two shorter (2.92 Å) and four longer (3.06 Å) Er–Fe bond lengths. There are two shorter (2.91 Å) and four longer (3.02 Å) Er–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Er, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are three shorter (2.50 Å) and one longer (2.57 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Er and six equivalent Fe atoms. In the second 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 2.63 Å.