Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. In the second Nb site, Nb(2) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing NiNbB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a 2-coordinate geometry to one Nb(2) 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.
Nb3(Ni10B3)2 crystallizes in the cubic Fm-3m space group. There are two inequivalent Nb sites. In the first Nb site, Nb(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. All Nb(1)-Ni(1) bond lengths are 2.45 Å. In the second Nb site, Nb(2) is bonded in a distorted cuboctahedral geometry to twelve equivalent Ni(2) atoms. All Nb(2)-Ni(2) bond lengths are 2.56 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Nb(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing NiNbB3 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 Nb(2) and two equivalent B(1) atoms. Both Ni(2)-B(1) bond lengths are 2.07 Å. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.