Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) atoms. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent B(1) atoms. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(3) atoms. In the third Ni site, Ni(3) is bonded to four equivalent Y(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiY4Ni8 cuboctahedra. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms.
Y3Ni13B2 crystallizes in the hexagonal P6/mmm space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 18-coordinate geometry to six equivalent Ni(1), six equivalent Ni(2), and six equivalent Ni(3) atoms. All Y(1)-Ni(1) bond lengths are 3.25 Å. All Y(1)-Ni(2) bond lengths are 2.85 Å. All Y(1)-Ni(3) bond lengths are 3.09 Å. In the second Y site, Y(2) is bonded in a 18-coordinate geometry to twelve equivalent Ni(1) and six equivalent B(1) atoms. All Y(2)-Ni(1) bond lengths are 2.86 Å. All Y(2)-B(1) bond lengths are 2.85 Å. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted L-shaped geometry to two equivalent Y(1), two equivalent Y(2), two equivalent Ni(2), and two equivalent B(1) atoms. Both Ni(1)-Ni(2) bond lengths are 2.46 Å. Both Ni(1)-B(1) bond lengths are 2.03 Å. In the second Ni site, Ni(2) is bonded in a 9-coordinate geometry to three equivalent Y(1), three equivalent Ni(1), and three equivalent Ni(3) atoms. All Ni(2)-Ni(3) bond lengths are 2.43 Å. In the third Ni site, Ni(3) is bonded to four equivalent Y(1), four equivalent Ni(2), and four equivalent Ni(3) atoms to form a mixture of face, corner, and edge-sharing NiY4Ni8 cuboctahedra. All Ni(3)-Ni(3) bond lengths are 2.47 Å. B(1) is bonded in a 6-coordinate geometry to three equivalent Y(2) and six equivalent Ni(1) atoms.