CeCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Ce(2) and six equivalent Co(2) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Ce(1), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and six equivalent Co(2) atoms.
CeCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Ce sites. In the first Ce site, Ce(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. All Ce(1)-Co(2) bond lengths are 2.89 Å. All Ce(1)-B(1) bond lengths are 2.88 Å. In the second Ce site, Ce(2) is bonded in a distorted hexagonal planar geometry to six equivalent Co(1) atoms. All Ce(2)-Co(1) bond lengths are 2.88 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent Ce(2) and six equivalent Co(2) atoms. All Co(1)-Co(2) bond lengths are 2.47 Å. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Ce(1), two equivalent Co(1), and two equivalent B(1) atoms. Both Co(2)-B(1) bond lengths are 2.05 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent Ce(1) and six equivalent Co(2) atoms.