Materials Data on UGaNi by Materials Project

Abstract

UNiGa crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. U is bonded in a 5-coordinate geometry to five Ni and six equivalent Ga atoms. There are one shorter (2.82 Å) and four longer (2.83 Å) U–Ni bond lengths. There are two shorter (3.00 Å) and four longer (3.19 Å) U–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent U and six equivalent Ga atoms. All Ni–Ga bond lengths are 2.57 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to six equivalent U and three equivalent Ga atoms. All Ni–Ga bond lengths are 2.57 Å. Ga is bonded to six equivalent U, four Ni, and two equivalent Ga atoms to form a mixture of distorted corner, edge, and face-sharing GaU6Ga2Ni4 cuboctahedra. Both Ga–Ga bond lengths are 2.72 Å.