Ti4Co2GaSi is beta Np-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(4), three equivalent Co(1), three equivalent Co(2), three equivalent Ga(1), and one Si(1) atom. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(3), three equivalent Co(1), three equivalent Co(2), one Ga(1), and three equivalent Si(1) atoms. In the third Ti site, Ti(3) is bonded to one Ti(1), three equivalent Ti(2), one Co(2), three equivalent Co(1), three equivalent Ga(1), and three equivalent Si(1) atoms to form distorted face-sharing TiTi4Ga3Co4Si3 tetrahedra. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to one Ti(2), three equivalent Ti(1), one Co(1), three equivalent Co(2), three equivalent Ga(1), and three equivalent Si(1) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(3), three equivalent Ga(1), and one Si(1) atom. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(4), one Ga(1), and three equivalent Si(1) atoms. Ga(1) is bonded in a 14-coordinate geometry to one Ti(2), three equivalent Ti(1), three equivalent Ti(3), three equivalent Ti(4), one Co(2), and three equivalent Co(1) atoms. Si(1) is bonded in a 14-coordinate geometry to one Ti(1), three equivalent Ti(2), three equivalent Ti(3), three equivalent Ti(4), one Co(1), and three equivalent Co(2) atoms.
Ti4Co2GaSi is beta Np-derived structured and crystallizes in the trigonal R3m space group. There are four inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(4), three equivalent Co(1), three equivalent Co(2), three equivalent Ga(1), and one Si(1) atom. The Ti(1)-Ti(3) bond length is 2.66 Å. All Ti(1)-Ti(4) bond lengths are 2.63 Å. All Ti(1)-Co(1) bond lengths are 3.09 Å. All Ti(1)-Co(2) bond lengths are 3.07 Å. All Ti(1)-Ga(1) bond lengths are 2.64 Å. The Ti(1)-Si(1) bond length is 2.63 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(3), three equivalent Co(1), three equivalent Co(2), one Ga(1), and three equivalent Si(1) atoms. The Ti(2)-Ti(4) bond length is 2.61 Å. All Ti(2)-Ti(3) bond lengths are 2.64 Å. All Ti(2)-Co(1) bond lengths are 3.01 Å. All Ti(2)-Co(2) bond lengths are 2.99 Å. The Ti(2)-Ga(1) bond length is 2.64 Å. All Ti(2)-Si(1) bond lengths are 2.62 Å. In the third Ti site, Ti(3) is bonded to one Ti(1), three equivalent Ti(2), one Co(2), three equivalent Co(1), three equivalent Ga(1), and three equivalent Si(1) atoms to form distorted face-sharing TiTi4Ga3Co4Si3 tetrahedra. The Ti(3)-Co(2) bond length is 2.56 Å. All Ti(3)-Co(1) bond lengths are 2.61 Å. All Ti(3)-Ga(1) bond lengths are 3.04 Å. All Ti(3)-Si(1) bond lengths are 3.03 Å. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to one Ti(2), three equivalent Ti(1), one Co(1), three equivalent Co(2), three equivalent Ga(1), and three equivalent Si(1) atoms. The Ti(4)-Co(1) bond length is 2.71 Å. All Ti(4)-Co(2) bond lengths are 2.65 Å. All Ti(4)-Ga(1) bond lengths are 3.05 Å. All Ti(4)-Si(1) bond lengths are 3.04 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(3), three equivalent Ga(1), and one Si(1) atom. All Co(1)-Ga(1) bond lengths are 2.65 Å. The Co(1)-Si(1) bond length is 2.55 Å. In the second Co site, Co(2) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(4), one Ga(1), and three equivalent Si(1) atoms. The Co(2)-Ga(1) bond length is 2.70 Å. All Co(2)-Si(1) bond lengths are 2.62 Å. Ga(1) is bonded in a 14-coordinate geometry to one Ti(2), three equivalent Ti(1), three equivalent Ti(3), three equivalent Ti(4), one Co(2), and three equivalent Co(1) atoms. Si(1) is bonded in a 14-coordinate geometry to one Ti(1), three equivalent Ti(2), three equivalent Ti(3), three equivalent Ti(4), one Co(1), and three equivalent Co(2) atoms.