Lu3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to one Lu(2), three equivalent Ni(1), and nine equivalent Ni(2) atoms. In the second Lu site, Lu(2) is bonded in a 20-coordinate geometry to two equivalent Lu(1), twelve equivalent Ni(2), three equivalent B(1), and three equivalent B(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Lu(1) and six equivalent Ni(2) atoms to form edge-sharing NiLu6Ni6 cuboctahedra. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Lu(2), three equivalent Lu(1), one Ni(1), one B(1), and one B(2) atom. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2) and six equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Lu(2) and six equivalent Ni(2) atoms.
Lu3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 12-coordinate geometry to one Lu(2), three equivalent Ni(1), and nine equivalent Ni(2) atoms. The Lu(1)-Lu(2) bond length is 3.06 Å. All Lu(1)-Ni(1) bond lengths are 2.90 Å. There are three shorter (2.92 Å) and six longer (2.96 Å) Lu(1)-Ni(2) bond lengths. In the second Lu site, Lu(2) is bonded in a 20-coordinate geometry to two equivalent Lu(1), twelve equivalent Ni(2), three equivalent B(1), and three equivalent B(2) atoms. All Lu(2)-Ni(2) bond lengths are 2.87 Å. All Lu(2)-B(1) bond lengths are 2.87 Å. All Lu(2)-B(2) bond lengths are 2.87 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to six equivalent Lu(1) and six equivalent Ni(2) atoms to form edge-sharing NiLu6Ni6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.52 Å. In the second Ni site, Ni(2) is bonded in a distorted L-shaped geometry to two equivalent Lu(2), three equivalent Lu(1), one Ni(1), one B(1), and one B(2) atom. The Ni(2)-B(1) bond length is 2.04 Å. The Ni(2)-B(2) bond length is 2.03 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Lu(2) and six equivalent Ni(2) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Lu(2) and six equivalent Ni(2) atoms.