Materials Data on NbNi by Materials Project

Abstract

NiNb crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Nb is bonded to six equivalent Nb and six equivalent Ni atoms to form distorted NbNb6Ni6 cuboctahedra that share corners with eighteen equivalent NbNb6Ni6 cuboctahedra, edges with six equivalent NbNb6Ni6 cuboctahedra, edges with twelve equivalent NiNb6Ni6 cuboctahedra, faces with eight equivalent NbNb6Ni6 cuboctahedra, and faces with twelve equivalent NiNb6Ni6 cuboctahedra. All Nb–Nb bond lengths are 2.82 Å. All Nb–Ni bond lengths are 2.70 Å. Ni is bonded to six equivalent Nb and six equivalent Ni atoms to form distorted NiNb6Ni6 cuboctahedra that share corners with eighteen equivalent NiNb6Ni6 cuboctahedra, edges with six equivalent NiNb6Ni6 cuboctahedra, edges with twelve equivalent NbNb6Ni6 cuboctahedra, faces with eight equivalent NiNb6Ni6 cuboctahedra, and faces with twelve equivalent NbNb6Ni6 cuboctahedra. All Ni–Ni bond lengths are 2.82 Å.