Materials Data on TmAl by Materials Project

Abstract

TmAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.37 Å. In the second Tm site, Tm is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Tm–Al bond distances ranging from 3.02–3.51 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Tm and four Al atoms to form a mixture of distorted edge, corner, and face-sharing AlTm8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.78 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Tm and two equivalent Al atoms.