NiNb crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form distorted NbNb6Ni6 cuboctahedra that share corners with eighteen equivalent Nb(1)Nb6Ni6 cuboctahedra, edges with six equivalent Nb(1)Nb6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)Nb6Ni6 cuboctahedra, faces with eight equivalent Nb(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Ni6 cuboctahedra. Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form distorted NiNb6Ni6 cuboctahedra that share corners with eighteen equivalent Ni(1)Nb6Ni6 cuboctahedra, edges with six equivalent Ni(1)Nb6Ni6 cuboctahedra, edges with twelve equivalent Nb(1)Nb6Ni6 cuboctahedra, faces with eight equivalent Ni(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Nb(1)Nb6Ni6 cuboctahedra.
NiNb crystallizes in the hexagonal P-6m2 space group. Nb(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form distorted NbNb6Ni6 cuboctahedra that share corners with eighteen equivalent Nb(1)Nb6Ni6 cuboctahedra, edges with six equivalent Nb(1)Nb6Ni6 cuboctahedra, edges with twelve equivalent Ni(1)Nb6Ni6 cuboctahedra, faces with eight equivalent Nb(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Ni(1)Nb6Ni6 cuboctahedra. All Nb(1)-Nb(1) bond lengths are 2.80 Å. All Nb(1)-Ni(1) bond lengths are 2.69 Å. Ni(1) is bonded to six equivalent Nb(1) and six equivalent Ni(1) atoms to form distorted NiNb6Ni6 cuboctahedra that share corners with eighteen equivalent Ni(1)Nb6Ni6 cuboctahedra, edges with six equivalent Ni(1)Nb6Ni6 cuboctahedra, edges with twelve equivalent Nb(1)Nb6Ni6 cuboctahedra, faces with eight equivalent Ni(1)Nb6Ni6 cuboctahedra, and faces with twelve equivalent Nb(1)Nb6Ni6 cuboctahedra. All Ni(1)-Ni(1) bond lengths are 2.80 Å.