Materials Data on Ho3(FeGe)4 by Materials Project

Abstract

Ho3(FeGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho 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) Ho–Fe bond lengths. There are two shorter (2.92 Å) and four longer (3.03 Å) Ho–Ge bond lengths. In the second Ho site, Ho is bonded to six Ge atoms to form distorted edge-sharing HoGe6 octahedra. There are four shorter (2.93 Å) and two longer (2.98 Å) Ho–Ge bond lengths. Fe is bonded in a 4-coordinate geometry to three equivalent Ho, one Fe, and four Ge atoms. The Fe–Fe bond length is 2.43 Å. There are a spread of Fe–Ge bond distances ranging from 2.50–2.57 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three Ho and six equivalent Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six Ho, two equivalent Fe, and one Ge atom. The Ge–Ge bond length is 2.63 Å.