Materials Data on UNi5 by Materials Project

Abstract

UNi5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to sixteen Ni atoms. There are twelve shorter (2.80 Å) and four longer (2.93 Å) U–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent U and twelve equivalent Ni atoms. All Ni–Ni bond lengths are 2.80 Å. In the second Ni site, Ni is bonded to three equivalent U and nine Ni atoms to form a mixture of distorted corner, edge, and face-sharing NiU3Ni9 cuboctahedra. There are three shorter (2.38 Å) and three longer (2.40 Å) Ni–Ni bond lengths.