Materials Data on Tb3Al2 by Materials Project

Abstract

Tb3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are four shorter (3.11 Å) and two longer (3.14 Å) Tb–Al bond lengths. In the second Tb site, Tb is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Tb–Al bond lengths are 3.32 Å. In the third Tb site, Tb is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.09 Å) and four longer (3.24 Å) Tb–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Tb and two equivalent Al atoms. There are one shorter (2.78 Å) and one longer (2.92 Å) Al–Al bond lengths.