Materials Data on Fe3Ge2 by Materials Project

Abstract

Fe3Ge2 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to five Fe and six Ge atoms. There are a spread of Fe–Fe bond distances ranging from 2.41–2.63 Å. There are three shorter (2.61 Å) and three longer (2.63 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded to six equivalent Fe and five Ge atoms to form a mixture of distorted corner and face-sharing FeFe6Ge5 trigonal bipyramids. There are three shorter (2.31 Å) and two longer (2.46 Å) Fe–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Fe atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to nine Fe atoms.