Materials Data on Al7FeCu2 by Materials Project

Abstract

Al7Cu2Fe crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Fe is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.48 Å. Cu is bonded in a 10-coordinate geometry to two equivalent Cu and eight Al atoms. Both Cu–Cu bond lengths are 2.56 Å. There are a spread of Cu–Al bond distances ranging from 2.53–2.68 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 5-coordinate geometry to one Fe and four equivalent Cu atoms. In the second Al site, Al is bonded in a 4-coordinate geometry to one Fe and three equivalent Cu atoms. In the third Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Fe atoms.