Materials Data on CuNi by Materials Project

Abstract

NiCu is Magnesium-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ni is bonded to six equivalent Ni and six equivalent Cu atoms to form NiCu6Ni6 cuboctahedra that share corners with eighteen equivalent NiCu6Ni6 cuboctahedra, edges with six equivalent NiCu6Ni6 cuboctahedra, edges with twelve equivalent CuCu6Ni6 cuboctahedra, faces with eight equivalent NiCu6Ni6 cuboctahedra, and faces with twelve equivalent CuCu6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.50 Å. All Ni–Cu bond lengths are 2.53 Å. Cu is bonded to six equivalent Ni and six equivalent Cu atoms to form CuCu6Ni6 cuboctahedra that share corners with eighteen equivalent CuCu6Ni6 cuboctahedra, edges with six equivalent CuCu6Ni6 cuboctahedra, edges with twelve equivalent NiCu6Ni6 cuboctahedra, faces with eight equivalent CuCu6Ni6 cuboctahedra, and faces with twelve equivalent NiCu6Ni6 cuboctahedra. All Cu–Cu bond lengths are 2.50 Å.