NdNi5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Nd(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of face, corner, and edge-sharing NiNd4Ni8 cuboctahedra. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Ni(1) atoms.
NdNi5 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 18-coordinate geometry to six equivalent Ni(2) and twelve equivalent Ni(1) atoms. All Nd(1)-Ni(2) bond lengths are 2.84 Å. All Nd(1)-Ni(1) bond lengths are 3.14 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Nd(1), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of face, corner, and edge-sharing NiNd4Ni8 cuboctahedra. All Ni(1)-Ni(1) bond lengths are 2.46 Å. All Ni(1)-Ni(2) bond lengths are 2.42 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Ni(1) atoms.