Ho2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Ho(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), four equivalent B(2), and eight equivalent B(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Ho(1), four equivalent Ni(2), and four equivalent B(1) atoms to form distorted NiHo4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(2)Ho4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Ho4Ni4B4 cuboctahedra, and faces with four equivalent Ni(2)Ho4Ni2B6 cuboctahedra. In the second Ni site, Ni(2) is bonded to four equivalent Ho(1), two equivalent Ni(1), two equivalent B(2), and four equivalent B(1) atoms to form distorted NiHo4Ni2B6 cuboctahedra that share corners with four equivalent Ni(1)Ho4Ni4B4 cuboctahedra, corners with six equivalent Ni(2)Ho4Ni2B6 cuboctahedra, edges with three equivalent Ni(2)Ho4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Ho4Ni4B4 cuboctahedra, and faces with three equivalent Ni(2)Ho4Ni2B6 cuboctahedra. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Ni(1), two equivalent Ni(2), one B(1), and one B(2) atom. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Ni(2), one B(2), and two equivalent B(1) atoms.
Ho2(NiB2)3 crystallizes in the orthorhombic Cmmm space group. Ho(1) is bonded in a 18-coordinate geometry to two equivalent Ni(1), four equivalent Ni(2), four equivalent B(2), and eight equivalent B(1) atoms. Both Ho(1)-Ni(1) bond lengths are 2.93 Å. There are two shorter (2.85 Å) and two longer (2.94 Å) Ho(1)-Ni(2) bond lengths. All Ho(1)-B(2) bond lengths are 2.73 Å. There are four shorter (2.71 Å) and four longer (2.75 Å) Ho(1)-B(1) bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to four equivalent Ho(1), four equivalent Ni(2), and four equivalent B(1) atoms to form distorted NiHo4Ni4B4 cuboctahedra that share corners with eight equivalent Ni(2)Ho4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Ho4Ni4B4 cuboctahedra, and faces with four equivalent Ni(2)Ho4Ni2B6 cuboctahedra. All Ni(1)-Ni(2) bond lengths are 2.45 Å. All Ni(1)-B(1) bond lengths are 2.21 Å. In the second Ni site, Ni(2) is bonded to four equivalent Ho(1), two equivalent Ni(1), two equivalent B(2), and four equivalent B(1) atoms to form distorted NiHo4Ni2B6 cuboctahedra that share corners with four equivalent Ni(1)Ho4Ni4B4 cuboctahedra, corners with six equivalent Ni(2)Ho4Ni2B6 cuboctahedra, edges with three equivalent Ni(2)Ho4Ni2B6 cuboctahedra, faces with two equivalent Ni(1)Ho4Ni4B4 cuboctahedra, and faces with three equivalent Ni(2)Ho4Ni2B6 cuboctahedra. Both Ni(2)-B(2) bond lengths are 2.12 Å. All Ni(2)-B(1) bond lengths are 2.15 Å. There are two inequivalent B sites. In the first B site, B(1) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Ni(1), two equivalent Ni(2), one B(1), and one B(2) atom. The B(1)-B(1) bond length is 1.75 Å. The B(1)-B(2) bond length is 1.74 Å. In the second B site, B(2) is bonded in a 9-coordinate geometry to four equivalent Ho(1), two equivalent Ni(2), one B(2), and two equivalent B(1) atoms. The B(2)-B(2) bond length is 1.74 Å.