Materials Data on UAlNi4 by Materials Project

Abstract

UNi4Al is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to twelve equivalent Ni and four equivalent Al atoms. All U–Ni bond lengths are 2.86 Å. All U–Al bond lengths are 2.98 Å. Ni is bonded to three equivalent U, six equivalent Ni, and three equivalent Al atoms to form a mixture of edge, corner, and face-sharing NiU3Al3Ni6 cuboctahedra. There are three shorter (2.41 Å) and three longer (2.46 Å) Ni–Ni bond lengths. All Ni–Al bond lengths are 2.85 Å. Al is bonded in a 12-coordinate geometry to four equivalent U and twelve equivalent Ni atoms.