NdZr crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded to six equivalent Nd(1) and six equivalent Zr(1) atoms to form NdNd6Zr6 cuboctahedra that share corners with eighteen equivalent Nd(1)Nd6Zr6 cuboctahedra, edges with six equivalent Nd(1)Nd6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Nd6Zr6 cuboctahedra, faces with eight equivalent Nd(1)Nd6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Nd6Zr6 cuboctahedra. Zr(1) is bonded to six equivalent Nd(1) and six equivalent Zr(1) atoms to form ZrNd6Zr6 cuboctahedra that share corners with eighteen equivalent Zr(1)Nd6Zr6 cuboctahedra, edges with six equivalent Zr(1)Nd6Zr6 cuboctahedra, edges with twelve equivalent Nd(1)Nd6Zr6 cuboctahedra, faces with eight equivalent Zr(1)Nd6Zr6 cuboctahedra, and faces with twelve equivalent Nd(1)Nd6Zr6 cuboctahedra.
NdZr crystallizes in the hexagonal P-6m2 space group. Nd(1) is bonded to six equivalent Nd(1) and six equivalent Zr(1) atoms to form NdNd6Zr6 cuboctahedra that share corners with eighteen equivalent Nd(1)Nd6Zr6 cuboctahedra, edges with six equivalent Nd(1)Nd6Zr6 cuboctahedra, edges with twelve equivalent Zr(1)Nd6Zr6 cuboctahedra, faces with eight equivalent Nd(1)Nd6Zr6 cuboctahedra, and faces with twelve equivalent Zr(1)Nd6Zr6 cuboctahedra. All Nd(1)-Nd(1) bond lengths are 3.41 Å. All Nd(1)-Zr(1) bond lengths are 3.43 Å. Zr(1) is bonded to six equivalent Nd(1) and six equivalent Zr(1) atoms to form ZrNd6Zr6 cuboctahedra that share corners with eighteen equivalent Zr(1)Nd6Zr6 cuboctahedra, edges with six equivalent Zr(1)Nd6Zr6 cuboctahedra, edges with twelve equivalent Nd(1)Nd6Zr6 cuboctahedra, faces with eight equivalent Zr(1)Nd6Zr6 cuboctahedra, and faces with twelve equivalent Nd(1)Nd6Zr6 cuboctahedra. All Zr(1)-Zr(1) bond lengths are 3.41 Å.