LaCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. In the second La site, La(2) 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 La(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 La(1), two equivalent La(2), two equivalent Co(1), and two equivalent B(1) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and six equivalent Co(2) atoms.
LaCo4B crystallizes in the hexagonal P6/mmm space group. There are two inequivalent La sites. In the first La site, La(1) is bonded in a 18-coordinate geometry to twelve equivalent Co(2) and six equivalent B(1) atoms. All La(1)-Co(2) bond lengths are 2.94 Å. All La(1)-B(1) bond lengths are 2.96 Å. In the second La site, La(2) is bonded in a 18-coordinate geometry to six equivalent Co(1) and twelve equivalent Co(2) atoms. All La(2)-Co(1) bond lengths are 2.96 Å. All La(2)-Co(2) bond lengths are 3.24 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 9-coordinate geometry to three equivalent La(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 La(1), two equivalent La(2), two equivalent Co(1), and two equivalent B(1) atoms. Both Co(2)-B(1) bond lengths are 2.06 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent La(1) and six equivalent Co(2) atoms.