Materials Data on DyAl by Materials Project

Abstract

DyAl crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded in a 2-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.07–3.41 Å. In the second Dy site, Dy is bonded in a 6-coordinate geometry to eight Al atoms. There are a spread of Dy–Al bond distances ranging from 3.08–3.54 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to eight Dy and two equivalent Al atoms. Both Al–Al bond lengths are 2.73 Å. In the second Al site, Al is bonded to eight Dy and four Al atoms to form a mixture of distorted edge, face, and corner-sharing AlDy8Al4 cuboctahedra. Both Al–Al bond lengths are 2.82 Å.