Materials Data on TbAl4Ni by Materials Project

Abstract

TbNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tb–Ni bond lengths are 3.17 Å. There are a spread of Tb–Al bond distances ranging from 2.99–3.36 Å. Ni is bonded in a 7-coordinate geometry to two equivalent Tb and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.31–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb, three equivalent Ni, and one Al atom. The Al–Al bond length is 2.95 Å. In the second Al site, Al is bonded in a distorted q6 geometry to four equivalent Tb and six Al atoms. All Al–Al bond lengths are 2.88 Å. In the third Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tb, one Ni, and four equivalent Al atoms.