NdCo4B4 crystallizes in the tetragonal P4_2/n space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Co(1) and twelve equivalent B(1) atoms. Co(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and five equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to three equivalent Nd(1), five equivalent Co(1), and one B(1) atom.
NdCo4B4 crystallizes in the tetragonal P4_2/n space group. Nd(1) is bonded in a 20-coordinate geometry to eight equivalent Co(1) and twelve equivalent B(1) atoms. There are four shorter (2.91 Å) and four longer (3.03 Å) Nd(1)-Co(1) bond lengths. There are eight shorter (2.80 Å) and four longer (3.29 Å) Nd(1)-B(1) bond lengths. Co(1) is bonded in a 4-coordinate geometry to two equivalent Nd(1) and five equivalent B(1) atoms. There are a spread of Co(1)-B(1) bond distances ranging from 1.98-2.45 Å. B(1) is bonded in a 8-coordinate geometry to three equivalent Nd(1), five equivalent Co(1), and one B(1) atom. The B(1)-B(1) bond length is 1.79 Å.