Materials Data on YbAlNi by Materials Project

Abstract

YbNiAl crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 5-coordinate geometry to five Ni and six equivalent Al atoms. There are one shorter (2.82 Å) and four longer (2.89 Å) Yb–Ni bond lengths. There are two shorter (3.12 Å) and four longer (3.20 Å) Yb–Al bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted q6 geometry to three equivalent Yb and six equivalent Al atoms. All Ni–Al bond lengths are 2.60 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent Al atoms. All Ni–Al bond lengths are 2.64 Å. Al is bonded in a 12-coordinate geometry to six equivalent Yb, four Ni, and two equivalent Al atoms. Both Al–Al bond lengths are 2.75 Å.