Materials Data on Gd(Al5Ru)2 by Materials Project

Abstract

Gd(RuAl5)2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Gd is bonded in a 10-coordinate geometry to four equivalent Ru and sixteen Al atoms. All Gd–Ru bond lengths are 3.47 Å. There are a spread of Gd–Al bond distances ranging from 3.16–3.69 Å. Ru is bonded in a 10-coordinate geometry to two equivalent Gd and ten Al atoms. There are a spread of Ru–Al bond distances ranging from 2.57–2.75 Å. There are five inequivalent Al sites. In the first Al site, Al is bonded in a distorted bent 120 degrees geometry to two equivalent Gd and two equivalent Ru atoms. In the second Al site, Al is bonded in a 12-coordinate geometry to one Gd and two equivalent Ru atoms. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Gd and two equivalent Ru atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to one Gd and two equivalent Ru atoms. In the fifth Al site, Al is bonded in a distorted linear geometry to two equivalent Gd and two equivalent Ru atoms.