Materials Data on Er(Fe2Ge)2 by Materials Project

Abstract

ErFe4Ge2 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Er is bonded in a 6-coordinate geometry to twelve Fe and six equivalent Ge atoms. There are a spread of Er–Fe bond distances ranging from 3.02–3.39 Å. There are two shorter (2.93 Å) and four longer (2.97 Å) Er–Ge bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 3-coordinate geometry to three equivalent Er, four Fe, and three equivalent Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.43–2.61 Å. All Fe–Ge bond lengths are 2.41 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to three equivalent Er, four Fe, and four equivalent Ge atoms. The Fe–Fe bond length is 2.66 Å. There are a spread of Fe–Ge bond distances ranging from 2.46–2.66 Å. Ge is bonded in a 10-coordinate geometry to three equivalent Er and seven Fe atoms.