Al2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Al(1) and three equivalent B(1) atoms to form a mixture of edge and corner-sharing NiAlB3 tetrahedra. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent B(1) atoms. In the third Ni site, Ni(3) is bonded in a cuboctahedral geometry to twelve equivalent Ni(2) atoms. Al(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.
Al2(Ni7B2)3 crystallizes in the cubic Fm-3m space group. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one Al(1) and three equivalent B(1) atoms to form a mixture of edge and corner-sharing NiAlB3 tetrahedra. The Ni(1)-Al(1) bond length is 2.38 Å. All Ni(1)-B(1) bond lengths are 2.06 Å. In the second Ni site, Ni(2) is bonded in a distorted bent 150 degrees geometry to one Ni(3) and two equivalent B(1) atoms. The Ni(2)-Ni(3) bond length is 2.48 Å. Both Ni(2)-B(1) bond lengths are 2.06 Å. In the third Ni site, Ni(3) is bonded in a cuboctahedral geometry to twelve equivalent Ni(2) atoms. Al(1) is bonded in a distorted tetrahedral geometry to four equivalent Ni(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ni(1) and four equivalent Ni(2) atoms.