Materials Data on UGa3Ni by Materials Project

Abstract

UNiGa3 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to four equivalent Ni and twelve Ga atoms. All U–Ni bond lengths are 3.32 Å. There are eight shorter (3.12 Å) and four longer (3.32 Å) U–Ga bond lengths. Ni is bonded to four equivalent U and eight Ga atoms to form distorted NiU4Ga8 cuboctahedra that share corners with four equivalent GaU4Ga4Ni4 cuboctahedra, corners with twelve equivalent NiU4Ga8 cuboctahedra, edges with two equivalent GaU4Ga4Ni4 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra. There are four shorter (2.47 Å) and four longer (2.88 Å) Ni–Ga bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Ni, and three Ga atoms. There are one shorter (2.44 Å) and two longer (2.47 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent U, four equivalent Ni, and four equivalent Ga atoms to form GaU4Ga4Ni4 cuboctahedra that share corners with four equivalent NiU4Ga8 cuboctahedra, corners with twelve equivalent GaU4Ga4Ni4 cuboctahedra, edges with two equivalent NiU4Ga8 cuboctahedra, faces with four equivalent NiU4Ga8 cuboctahedra, and faces with four equivalent GaU4Ga4Ni4 cuboctahedra.