Materials Data on Fe3Cu by Materials Project

Abstract

Fe3Cu is Tungsten-derived structured and crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a distorted body-centered cubic geometry to six Fe and two equivalent Cu atoms. There are four shorter (2.47 Å) and two longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Cu bond lengths are 2.52 Å. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to eight Fe atoms. All Fe–Fe bond lengths are 2.47 Å. Cu is bonded in a distorted body-centered cubic geometry to four equivalent Fe and four equivalent Cu atoms. All Cu–Cu bond lengths are 2.47 Å.