Materials Data on DyAl4Ni by Materials Project

Abstract

DyNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Dy–Ni bond lengths are 3.15 Å. There are a spread of Dy–Al bond distances ranging from 2.99–3.37 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Dy and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.32–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Dy and six Al atoms. There are four shorter (2.87 Å) and two longer (2.93 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Dy, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Dy, three equivalent Ni, and one Al atom.