Materials Data on TbAl4 by Materials Project

Abstract

TbAl4 crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tb is bonded in a 1-coordinate geometry to thirteen Al atoms. There are a spread of Tb–Al bond distances ranging from 3.09–3.15 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to three equivalent Tb and seven Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.93 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four equivalent Tb and six Al atoms. All Al–Al bond lengths are 3.13 Å. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tb and ten Al atoms.