Materials Data on UCoNi by Materials Project

Abstract

UCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. There are four shorter (2.87 Å) and two longer (2.88 Å) U–Co bond lengths. There are two shorter (2.89 Å) and four longer (2.90 Å) U–Ni bond lengths. Co is bonded to six equivalent U, two equivalent Co, and four equivalent Ni atoms to form CoU6Co2Ni4 cuboctahedra that share corners with eight equivalent NiU6Co4Ni2 cuboctahedra, corners with ten equivalent CoU6Co2Ni4 cuboctahedra, edges with six equivalent CoU6Co2Ni4 cuboctahedra, faces with six equivalent CoU6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiU6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.48 Å. All Co–Ni bond lengths are 2.46 Å. Ni is bonded to six equivalent U, four equivalent Co, and two equivalent Ni atoms to form NiU6Co4Ni2 cuboctahedra that share corners with eight equivalent CoU6Co2Ni4 cuboctahedra, corners with ten equivalent NiU6Co4Ni2 cuboctahedra, edges with six equivalent NiU6Co4Ni2 cuboctahedra, faces with six equivalent NiU6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoU6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.43 Å.