Y3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to two equivalent Y(1), twelve equivalent Ni(1), 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 in a distorted L-shaped geometry to two equivalent Y(2), three equivalent Y(1), one Ni(2), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded to six equivalent Y(1) and six equivalent Ni(1) atoms to form edge-sharing NiY6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms.
Y3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 12-coordinate geometry to one Y(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. The Y(1)-Y(2) bond length is 3.12 Å. All Y(1)-Ni(2) bond lengths are 2.96 Å. There are three shorter (2.97 Å) and six longer (3.06 Å) Y(1)-Ni(1) bond lengths. In the second Y site, Y(2) is bonded in a 20-coordinate geometry to two equivalent Y(1), twelve equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. All Y(2)-Ni(1) bond lengths are 2.91 Å. All Y(2)-B(1) bond lengths are 2.93 Å. All Y(2)-B(2) bond lengths are 2.93 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Y(2), three equivalent Y(1), one Ni(2), one B(1), and one B(2) atom. The Ni(1)-Ni(2) bond length is 2.59 Å. The Ni(1)-B(1) bond length is 2.05 Å. The Ni(1)-B(2) bond length is 2.03 Å. In the second Ni site, Ni(2) is bonded to six equivalent Y(1) and six equivalent Ni(1) atoms to form edge-sharing NiY6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms.