Ta3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. In the second Ta site, Ta(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 Ta(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiTaB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Ta(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.
Ta3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. All Ta(1)-Ni(2) bond lengths are 2.55 Å. In the second Ta site, Ta(2) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. All Ta(2)-Ni(1) bond lengths are 2.44 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Ta(2) and three equivalent B(1) atoms to form a mixture of corner and edge-sharing NiTaB3 tetrahedra. All Ni(1)-B(1) bond lengths are 2.11 Å. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Ta(1) and two equivalent B(1) atoms. Both Ni(2)-B(1) bond lengths are 2.06 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.