Co20Al3B6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Al(2) and three equivalent B(1) atoms to form a mixture of distorted edge and corner-sharing CoAlB3 tetrahedra. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Al(1) and two equivalent B(1) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(2) atoms. In the second Al site, Al(2) is bonded in a distorted tetrahedral geometry to four equivalent Co(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent Co(2) atoms.
Co20Al3B6 crystallizes in the cubic Fm-3m space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one Al(2) and three equivalent B(1) atoms to form a mixture of distorted edge and corner-sharing CoAlB3 tetrahedra. The Co(1)-Al(2) bond length is 2.40 Å. All Co(1)-B(1) bond lengths are 2.06 Å. In the second Co site, Co(2) is bonded in a 2-coordinate geometry to one Al(1) and two equivalent B(1) atoms. The Co(2)-Al(1) bond length is 2.52 Å. Both Co(2)-B(1) bond lengths are 2.10 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a cuboctahedral geometry to twelve equivalent Co(2) atoms. In the second Al site, Al(2) is bonded in a distorted tetrahedral geometry to four equivalent Co(1) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Co(1) and four equivalent Co(2) atoms.