Materials Data on Tm3Al2 by Materials Project

Abstract

Tm3Al2 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a distorted square co-planar geometry to four equivalent Al atoms. All Tm–Al bond lengths are 3.27 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.06 Å) and four longer (3.08 Å) Tm–Al bond lengths. In the third Tm site, Tm is bonded in a 6-coordinate geometry to six equivalent Al atoms. There are two shorter (3.02 Å) and four longer (3.17 Å) Tm–Al bond lengths. Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms. There are one shorter (2.74 Å) and one longer (2.94 Å) Al–Al bond lengths.