NaCu crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent Na(1)Na6Cu6 cuboctahedra, edges with six equivalent Na(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Cu(1)Na6Cu6 cuboctahedra, faces with eight equivalent Na(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Na6Cu6 cuboctahedra. Cu(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent Cu(1)Na6Cu6 cuboctahedra, edges with six equivalent Cu(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Na(1)Na6Cu6 cuboctahedra, faces with eight equivalent Cu(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Na(1)Na6Cu6 cuboctahedra.
NaCu crystallizes in the hexagonal P-6m2 space group. Na(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted NaNa6Cu6 cuboctahedra that share corners with eighteen equivalent Na(1)Na6Cu6 cuboctahedra, edges with six equivalent Na(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Cu(1)Na6Cu6 cuboctahedra, faces with eight equivalent Na(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Cu(1)Na6Cu6 cuboctahedra. All Na(1)-Na(1) bond lengths are 2.84 Å. All Na(1)-Cu(1) bond lengths are 2.97 Å. Cu(1) is bonded to six equivalent Na(1) and six equivalent Cu(1) atoms to form distorted CuNa6Cu6 cuboctahedra that share corners with eighteen equivalent Cu(1)Na6Cu6 cuboctahedra, edges with six equivalent Cu(1)Na6Cu6 cuboctahedra, edges with twelve equivalent Na(1)Na6Cu6 cuboctahedra, faces with eight equivalent Cu(1)Na6Cu6 cuboctahedra, and faces with twelve equivalent Na(1)Na6Cu6 cuboctahedra. All Cu(1)-Cu(1) bond lengths are 2.84 Å.