Materials Data on Er(Al3Ni)3 by Materials Project

Abstract

ErNi3Al9 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Er is bonded in a 11-coordinate geometry to six equivalent Ni and eleven Al atoms. There are three shorter (3.27 Å) and three longer (3.28 Å) Er–Ni bond lengths. There are a spread of Er–Al bond distances ranging from 2.98–3.15 Å. Ni is bonded in a 8-coordinate geometry to two equivalent Er and eight Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.62 Å. There are six inequivalent Al sites. In the first Al site, Al is bonded in a 3-coordinate geometry to two equivalent Er, three equivalent Ni, and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.71–2.79 Å. In the second Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Er, three equivalent Ni, and seven Al atoms. There are three shorter (2.81 Å) and one longer (2.84 Å) Al–Al bond lengths. In the third Al site, Al is bonded in a 2-coordinate geometry to two equivalent Er, two equivalent Ni, and six Al atoms. Both Al–Al bond lengths are 2.64 Å. In the fourth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni and seven Al atoms. There are three shorter (2.83 Å) and one longer (2.87 Å) Al–Al bond lengths. In the fifth Al site, Al is bonded in a distorted trigonal non-coplanar geometry to one Er, three equivalent Ni, and seven Al atoms. All Al–Al bond lengths are 2.80 Å. In the sixth Al site, Al is bonded in a linear geometry to two equivalent Ni and six Al atoms.