NdCo5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing CoNd4Co8 cuboctahedra.
NdCo5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. All Nd(1)-Co(1) bond lengths are 2.90 Å. All Nd(1)-Co(2) bond lengths are 3.19 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(2) atoms. All Co(1)-Co(2) bond lengths are 2.45 Å. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Co(1), and four equivalent Co(2) atoms to form a mixture of edge, corner, and face-sharing CoNd4Co8 cuboctahedra. All Co(2)-Co(2) bond lengths are 2.51 Å.