NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 6-coordinate geometry to six equivalent Co(3) atoms. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to six equivalent Co(4) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(3), and two equivalent B(1) atoms. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(4), and two equivalent B(1) atoms. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(2) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2), three equivalent Co(1), and three equivalent Co(2) atoms.
NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. Nd(1) is bonded in a 6-coordinate geometry to six equivalent Co(3) atoms. All Nd(1)-Co(3) bond lengths are 2.91 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to six equivalent Co(4) atoms. All Y(1)-Co(4) bond lengths are 2.91 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to six equivalent Co(1), six equivalent Co(2), and six equivalent B(1) atoms. All Y(2)-Co(1) bond lengths are 2.91 Å. All Y(2)-Co(2) bond lengths are 2.91 Å. All Y(2)-B(1) bond lengths are 2.91 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(3), and two equivalent B(1) atoms. Both Co(1)-Co(3) bond lengths are 2.46 Å. Both Co(1)-B(1) bond lengths are 2.04 Å. In the second Co site, Co(2) is bonded in a distorted L-shaped geometry to two equivalent Y(2), two equivalent Co(4), and two equivalent B(1) atoms. Both Co(2)-Co(4) bond lengths are 2.45 Å. Both Co(2)-B(1) bond lengths are 2.05 Å. In the third Co site, Co(3) is bonded in a 9-coordinate geometry to three equivalent Nd(1) and six equivalent Co(1) atoms. In the fourth Co site, Co(4) is bonded in a 9-coordinate geometry to three equivalent Y(1) and six equivalent Co(2) atoms. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2), three equivalent Co(1), and three equivalent Co(2) atoms.