Ti20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing TiCoB3 tetrahedra. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Ti(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Ti(2) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms.
Ti20(CoB2)3 crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one Co(1) and three equivalent B(1) atoms to form a mixture of distorted corner and edge-sharing TiCoB3 tetrahedra. The Ti(1)-Co(1) bond length is 2.58 Å. All Ti(1)-B(1) bond lengths are 2.35 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to one Co(2) and two equivalent B(1) atoms. The Ti(2)-Co(2) bond length is 2.79 Å. Both Ti(2)-B(1) bond lengths are 2.38 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a tetrahedral geometry to four equivalent Ti(1) atoms. In the second Co site, Co(2) is bonded in a cuboctahedral geometry to twelve equivalent Ti(2) atoms. B(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1) and four equivalent Ti(2) atoms.