Materials Data on UNi2 by Materials Project

Abstract

UNi2 is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to twelve Ni atoms. There are a spread of U–Ni bond distances ranging from 2.88–2.94 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to six equivalent U and six equivalent Ni atoms to form a mixture of face, edge, and corner-sharing NiU6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. In the second Ni site, Ni is bonded to six equivalent U and six Ni atoms to form a mixture of face, edge, and corner-sharing NiU6Ni6 cuboctahedra. There are two shorter (2.45 Å) and two longer (2.48 Å) Ni–Ni bond lengths.