V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(2) atoms. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one V(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiVB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one V(1) and two equivalent B(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.
V3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a cuboctahedral geometry to twelve equivalent Ni(2) atoms. All V(1)-Ni(2) bond lengths are 2.51 Å. In the second V site, V(2) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. All V(2)-Ni(1) bond lengths are 2.37 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one V(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiVB3 tetrahedra. All Ni(1)-B(1) bond lengths are 2.10 Å. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one V(1) and two equivalent B(1) atoms. Both Ni(2)-B(1) bond lengths are 2.05 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.