Materials Data on HoAl by Materials Project

Abstract

HoAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Ho sites. In the first Ho site, Ho is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Ho–Al bond distances ranging from 3.05–3.38 Å. In the second Ho site, Ho is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Ho–Al bond distances ranging from 3.05–3.53 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to eight Ho and four Al atoms to form a mixture of distorted corner, edge, and face-sharing AlHo8Al4 cuboctahedra. There are two shorter (2.72 Å) and two longer (2.81 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 10-coordinate geometry to eight Ho and two equivalent Al atoms.