Yb3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Yb(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. In the second Yb site, Yb(2) is bonded in a 20-coordinate geometry to two equivalent Yb(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 Yb(2), three equivalent Yb(1), one Ni(2), one B(1), and one B(2) atom. In the second Ni site, Ni(2) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form edge-sharing NiYb6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms.
Yb3Ni7B2 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 12-coordinate geometry to one Yb(2), three equivalent Ni(2), and nine equivalent Ni(1) atoms. The Yb(1)-Yb(2) bond length is 2.98 Å. All Yb(1)-Ni(2) bond lengths are 2.90 Å. All Yb(1)-Ni(1) bond lengths are 2.94 Å. In the second Yb site, Yb(2) is bonded in a 20-coordinate geometry to two equivalent Yb(1), twelve equivalent Ni(1), three equivalent B(1), and three equivalent B(2) atoms. All Yb(2)-Ni(1) bond lengths are 2.84 Å. All Yb(2)-B(1) bond lengths are 2.86 Å. All Yb(2)-B(2) bond lengths are 2.86 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 Yb(2), three equivalent Yb(1), one Ni(2), one B(1), and one B(2) atom. The Ni(1)-Ni(2) bond length is 2.51 Å. The Ni(1)-B(1) bond length is 2.00 Å. The Ni(1)-B(2) bond length is 1.99 Å. In the second Ni site, Ni(2) is bonded to six equivalent Yb(1) and six equivalent Ni(1) atoms to form edge-sharing NiYb6Ni6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms. In the second B site, B(2) is bonded in a 6-coordinate geometry to three equivalent Yb(2) and six equivalent Ni(1) atoms.