Ti13Co8Al9 crystallizes in the trigonal R3m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(3), one Ti(4), one Co(4), two equivalent Co(1), and two equivalent Al(4) atoms. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to two equivalent Ti(4), one Co(4), two equivalent Co(1), one Al(3), one Al(4), and one Al(5) atom. In the third Ti site, Ti(3) is bonded in a 13-coordinate geometry to three equivalent Ti(1), one Co(3), three equivalent Co(2), three equivalent Al(2), and three equivalent Al(4) atoms. In the fourth Ti site, Ti(4) is bonded in a 13-coordinate geometry to one Ti(1), two equivalent Ti(2), one Co(2), one Co(3), two equivalent Co(1), one Al(1), one Al(3), two equivalent Al(2), and two equivalent Al(4) atoms. In the fifth Ti site, Ti(5) is bonded in a distorted trigonal planar geometry to one Co(1), two equivalent Co(2), one Al(3), one Al(5), and two equivalent Al(4) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Ti(5), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(4), one Al(1), one Al(2), one Al(5), and two equivalent Al(4) atoms. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Ti(3), one Ti(4), two equivalent Ti(5), one Al(3), one Al(4), and two equivalent Al(2) atoms. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to one Ti(3), three equivalent Ti(4), one Al(3), and three equivalent Al(4) atoms. In the fourth Co site, Co(4) is bonded in an octahedral geometry to three equivalent Ti(1) and three equivalent Ti(2) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Ti(4) and three equivalent Co(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Ti(3), two equivalent Ti(4), one Co(1), and two equivalent Co(2) atoms. In the third Al site, Al(3) is bonded in a 13-coordinate geometry to three equivalent Ti(2), three equivalent Ti(4), three equivalent Ti(5), one Co(3), and three equivalent Co(2) atoms. In the fourth Al site, Al(4) is bonded in a 13-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Co(2), one Co(3), two equivalent Co(1), and one Al(5) atom. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to three equivalent Ti(2), three equivalent Ti(5), three equivalent Co(1), and three equivalent Al(4) atoms.
Ti13Co8Al9 crystallizes in the trigonal R3m space group. There are five inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted single-bond geometry to one Ti(3), one Ti(4), one Co(4), two equivalent Co(1), and two equivalent Al(4) atoms. The Ti(1)-Ti(3) bond length is 2.89 Å. The Ti(1)-Ti(4) bond length is 2.92 Å. The Ti(1)-Co(4) bond length is 2.40 Å. Both Ti(1)-Co(1) bond lengths are 3.03 Å. Both Ti(1)-Al(4) bond lengths are 2.90 Å. In the second Ti site, Ti(2) is bonded in a distorted single-bond geometry to two equivalent Ti(4), one Co(4), two equivalent Co(1), one Al(3), one Al(4), and one Al(5) atom. Both Ti(2)-Ti(4) bond lengths are 2.95 Å. The Ti(2)-Co(4) bond length is 2.43 Å. Both Ti(2)-Co(1) bond lengths are 2.96 Å. The Ti(2)-Al(3) bond length is 3.03 Å. The Ti(2)-Al(4) bond length is 2.86 Å. The Ti(2)-Al(5) bond length is 2.79 Å. In the third Ti site, Ti(3) is bonded in a 13-coordinate geometry to three equivalent Ti(1), one Co(3), three equivalent Co(2), three equivalent Al(2), and three equivalent Al(4) atoms. The Ti(3)-Co(3) bond length is 2.50 Å. All Ti(3)-Co(2) bond lengths are 2.60 Å. All Ti(3)-Al(2) bond lengths are 2.69 Å. All Ti(3)-Al(4) bond lengths are 2.85 Å. In the fourth Ti site, Ti(4) is bonded in a 13-coordinate geometry to one Ti(1), two equivalent Ti(2), one Co(2), one Co(3), two equivalent Co(1), one Al(1), one Al(3), two equivalent Al(2), and two equivalent Al(4) atoms. The Ti(4)-Co(2) bond length is 2.62 Å. The Ti(4)-Co(3) bond length is 2.47 Å. Both Ti(4)-Co(1) bond lengths are 2.60 Å. The Ti(4)-Al(1) bond length is 2.72 Å. The Ti(4)-Al(3) bond length is 2.84 Å. Both Ti(4)-Al(2) bond lengths are 2.70 Å. Both Ti(4)-Al(4) bond lengths are 2.84 Å. In the fifth Ti site, Ti(5) is bonded in a distorted trigonal planar geometry to one Co(1), two equivalent Co(2), one Al(3), one Al(5), and two equivalent Al(4) atoms. The Ti(5)-Co(1) bond length is 2.48 Å. Both Ti(5)-Co(2) bond lengths are 2.44 Å. The Ti(5)-Al(3) bond length is 2.74 Å. The Ti(5)-Al(5) bond length is 2.89 Å. Both Ti(5)-Al(4) bond lengths are 2.75 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 12-coordinate geometry to one Ti(5), two equivalent Ti(1), two equivalent Ti(2), two equivalent Ti(4), one Al(1), one Al(2), one Al(5), and two equivalent Al(4) atoms. The Co(1)-Al(1) bond length is 2.40 Å. The Co(1)-Al(2) bond length is 2.42 Å. The Co(1)-Al(5) bond length is 2.46 Å. Both Co(1)-Al(4) bond lengths are 2.64 Å. In the second Co site, Co(2) is bonded in a 8-coordinate geometry to one Ti(3), one Ti(4), two equivalent Ti(5), one Al(3), one Al(4), and two equivalent Al(2) atoms. The Co(2)-Al(3) bond length is 2.64 Å. The Co(2)-Al(4) bond length is 2.63 Å. Both Co(2)-Al(2) bond lengths are 2.42 Å. In the third Co site, Co(3) is bonded in a body-centered cubic geometry to one Ti(3), three equivalent Ti(4), one Al(3), and three equivalent Al(4) atoms. The Co(3)-Al(3) bond length is 2.44 Å. All Co(3)-Al(4) bond lengths are 2.45 Å. In the fourth Co site, Co(4) is bonded in an octahedral geometry to three equivalent Ti(1) and three equivalent Ti(2) atoms. There are five inequivalent Al sites. In the first Al site, Al(1) is bonded in a 3-coordinate geometry to three equivalent Ti(4) and three equivalent Co(1) atoms. In the second Al site, Al(2) is bonded in a 3-coordinate geometry to one Ti(3), two equivalent Ti(4), one Co(1), and two equivalent Co(2) atoms. In the third Al site, Al(3) is bonded in a 13-coordinate geometry to three equivalent Ti(2), three equivalent Ti(4), three equivalent Ti(5), one Co(3), and three equivalent Co(2) atoms. In the fourth Al site, Al(4) is bonded in a 13-coordinate geometry to one Ti(2), one Ti(3), two equivalent Ti(1), two equivalent Ti(4), two equivalent Ti(5), one Co(2), one Co(3), two equivalent Co(1), and one Al(5) atom. The Al(4)-Al(5) bond length is 2.65 Å. In the fifth Al site, Al(5) is bonded in a 12-coordinate geometry to three equivalent Ti(2), three equivalent Ti(5), three equivalent Co(1), and three equivalent Al(4) atoms.