Materials Data on Al7Cu2Ru by Materials Project

Abstract

RuCu2Al7 crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ru is bonded in a 9-coordinate geometry to nine Al atoms. There are a spread of Ru–Al bond distances ranging from 2.51–2.54 Å. Cu is bonded in a 8-coordinate geometry to two equivalent Cu and eight Al atoms. Both Cu–Cu bond lengths are 2.57 Å. There are a spread of Cu–Al bond distances ranging from 2.53–2.64 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 150 degrees geometry to two equivalent Ru atoms. In the second Al site, Al is bonded in a 1-coordinate geometry to one Ru and four equivalent Cu atoms. In the third Al site, Al is bonded in a 4-coordinate geometry to one Ru and three equivalent Cu atoms.