Materials Data on TbAl3 by Materials Project
TbAl3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Al atoms to form a mixture of distorted corner and face-sharing TbAl12 cuboctahedra. There are a spread of Tb–Al bond distances ranging from 3.03–3.11 Å. In the second Tb site, Tb is bonded to twelve Al atoms to form a mixture of corner and face-sharing TbAl12 cuboctahedra. There are six shorter (3.08 Å) and six longer (3.10 Å) Tb–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to four Tb and six Al atoms. There are a spread of Al–Al bond distances ranging from 2.73–2.89 Å. In the second Al site, Al is bonded in a 12-coordinate geometry to four Tb and eight Al atoms. All Al–Al bond lengths are 3.10 Å.