Ti8Co4Ga3Si is beta Np-derived structured and crystallizes in the trigonal R3m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to one Ti(5), three equivalent Ti(6), three equivalent Co(3), three equivalent Co(4), one Ga(3), and three equivalent Si(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to one Ti(6), three equivalent Ti(8), three equivalent Co(2), three equivalent Co(3), one Ga(2), and three equivalent Ga(3) atoms. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to one Ti(7), three equivalent Ti(5), three equivalent Co(1), three equivalent Co(4), three equivalent Ga(1), and one Si(1) atom. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to one Ti(8), three equivalent Ti(7), three equivalent Co(1), three equivalent Co(2), one Ga(1), and three equivalent Ga(2) atoms. In the fifth Ti site, Ti(5) is bonded in a 14-coordinate geometry to one Ti(1), three equivalent Ti(3), one Co(1), three equivalent Co(4), three equivalent Ga(1), and three equivalent Si(1) atoms. In the sixth Ti site, Ti(6) is bonded to one Ti(2), three equivalent Ti(1), one Co(4), three equivalent Co(3), and three equivalent Si(1) atoms to form distorted face-sharing TiTi4Co4Si3 tetrahedra. In the seventh Ti site, Ti(7) is bonded in a 4-coordinate geometry to one Ti(3), three equivalent Ti(4), one Co(2), and three equivalent Co(1) atoms. In the eighth Ti site, Ti(8) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(2), one Co(3), three equivalent Co(2), three equivalent Ga(2), and three equivalent Ga(3) atoms. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(5), three equivalent Ti(3), three equivalent Ti(4), three equivalent Ti(7), one Ga(2), and three equivalent Ga(1) atoms. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Ti(7), three equivalent Ti(2), three equivalent Ti(4), three equivalent Ti(8), one Ga(3), and three equivalent Ga(2) atoms. In the third Co site, Co(3) is bonded in a 14-coordinate geometry to one Ti(8), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(6), three equivalent Ga(3), and one Si(1) atom. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Ti(6), three equivalent Ti(1), three equivalent Ti(3), three equivalent Ti(5), one Ga(1), and three equivalent Si(1) atoms. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to one Ti(4), three equivalent Ti(3), three equivalent Ti(5), one Co(4), and three equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(4), three equivalent Ti(8), one Co(1), and three equivalent Co(2) atoms. In the third Ga site, Ga(3) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Ti(2), three equivalent Ti(8), one Co(2), and three equivalent Co(3) atoms. Si(1) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(1), three equivalent Ti(5), three equivalent Ti(6), one Co(3), and three equivalent Co(4) atoms.
Ti8Co4Ga3Si is beta Np-derived structured and crystallizes in the trigonal R3m space group. There are eight inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to one Ti(5), three equivalent Ti(6), three equivalent Co(3), three equivalent Co(4), one Ga(3), and three equivalent Si(1) atoms. The Ti(1)-Ti(5) bond length is 2.60 Å. All Ti(1)-Ti(6) bond lengths are 2.62 Å. All Ti(1)-Co(3) bond lengths are 3.00 Å. All Ti(1)-Co(4) bond lengths are 3.00 Å. The Ti(1)-Ga(3) bond length is 2.61 Å. All Ti(1)-Si(1) bond lengths are 2.62 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to one Ti(6), three equivalent Ti(8), three equivalent Co(2), three equivalent Co(3), one Ga(2), and three equivalent Ga(3) atoms. The Ti(2)-Ti(6) bond length is 2.64 Å. All Ti(2)-Ti(8) bond lengths are 2.63 Å. All Ti(2)-Co(2) bond lengths are 3.04 Å. All Ti(2)-Co(3) bond lengths are 3.07 Å. The Ti(2)-Ga(2) bond length is 2.62 Å. All Ti(2)-Ga(3) bond lengths are 2.63 Å. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to one Ti(7), three equivalent Ti(5), three equivalent Co(1), three equivalent Co(4), three equivalent Ga(1), and one Si(1) atom. The Ti(3)-Ti(7) bond length is 2.66 Å. All Ti(3)-Ti(5) bond lengths are 2.62 Å. All Ti(3)-Co(1) bond lengths are 3.05 Å. All Ti(3)-Co(4) bond lengths are 3.05 Å. All Ti(3)-Ga(1) bond lengths are 2.64 Å. The Ti(3)-Si(1) bond length is 2.62 Å. In the fourth Ti site, Ti(4) is bonded in a 14-coordinate geometry to one Ti(8), three equivalent Ti(7), three equivalent Co(1), three equivalent Co(2), one Ga(1), and three equivalent Ga(2) atoms. The Ti(4)-Ti(8) bond length is 2.62 Å. All Ti(4)-Ti(7) bond lengths are 2.63 Å. All Ti(4)-Co(1) bond lengths are 3.03 Å. All Ti(4)-Co(2) bond lengths are 3.04 Å. The Ti(4)-Ga(1) bond length is 2.62 Å. All Ti(4)-Ga(2) bond lengths are 2.64 Å. In the fifth Ti site, Ti(5) is bonded in a 14-coordinate geometry to one Ti(1), three equivalent Ti(3), one Co(1), three equivalent Co(4), three equivalent Ga(1), and three equivalent Si(1) atoms. The Ti(5)-Co(1) bond length is 2.61 Å. All Ti(5)-Co(4) bond lengths are 2.66 Å. All Ti(5)-Ga(1) bond lengths are 3.03 Å. All Ti(5)-Si(1) bond lengths are 3.06 Å. In the sixth Ti site, Ti(6) is bonded to one Ti(2), three equivalent Ti(1), one Co(4), three equivalent Co(3), and three equivalent Si(1) atoms to form distorted face-sharing TiTi4Co4Si3 tetrahedra. The Ti(6)-Co(4) bond length is 2.51 Å. All Ti(6)-Co(3) bond lengths are 2.62 Å. All Ti(6)-Si(1) bond lengths are 2.99 Å. In the seventh Ti site, Ti(7) is bonded in a 4-coordinate geometry to one Ti(3), three equivalent Ti(4), one Co(2), and three equivalent Co(1) atoms. The Ti(7)-Co(2) bond length is 2.60 Å. All Ti(7)-Co(1) bond lengths are 2.64 Å. In the eighth Ti site, Ti(8) is bonded in a 14-coordinate geometry to one Ti(4), three equivalent Ti(2), one Co(3), three equivalent Co(2), three equivalent Ga(2), and three equivalent Ga(3) atoms. The Ti(8)-Co(3) bond length is 2.68 Å. All Ti(8)-Co(2) bond lengths are 2.63 Å. All Ti(8)-Ga(2) bond lengths are 3.04 Å. All Ti(8)-Ga(3) bond lengths are 3.03 Å. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a distorted body-centered cubic geometry to one Ti(5), three equivalent Ti(3), three equivalent Ti(4), three equivalent Ti(7), one Ga(2), and three equivalent Ga(1) atoms. The Co(1)-Ga(2) bond length is 2.61 Å. All Co(1)-Ga(1) bond lengths are 2.64 Å. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Ti(7), three equivalent Ti(2), three equivalent Ti(4), three equivalent Ti(8), one Ga(3), and three equivalent Ga(2) atoms. The Co(2)-Ga(3) bond length is 2.61 Å. All Co(2)-Ga(2) bond lengths are 2.64 Å. In the third Co site, Co(3) is bonded in a 14-coordinate geometry to one Ti(8), three equivalent Ti(1), three equivalent Ti(2), three equivalent Ti(6), three equivalent Ga(3), and one Si(1) atom. All Co(3)-Ga(3) bond lengths are 2.66 Å. The Co(3)-Si(1) bond length is 2.50 Å. In the fourth Co site, Co(4) is bonded in a 14-coordinate geometry to one Ti(6), three equivalent Ti(1), three equivalent Ti(3), three equivalent Ti(5), one Ga(1), and three equivalent Si(1) atoms. The Co(4)-Ga(1) bond length is 2.66 Å. All Co(4)-Si(1) bond lengths are 2.63 Å. There are three inequivalent Ga sites. In the first Ga site, Ga(1) is bonded in a distorted body-centered cubic geometry to one Ti(4), three equivalent Ti(3), three equivalent Ti(5), one Co(4), and three equivalent Co(1) atoms. In the second Ga site, Ga(2) is bonded in a distorted body-centered cubic geometry to one Ti(2), three equivalent Ti(4), three equivalent Ti(8), one Co(1), and three equivalent Co(2) atoms. In the third Ga site, Ga(3) is bonded in a distorted body-centered cubic geometry to one Ti(1), three equivalent Ti(2), three equivalent Ti(8), one Co(2), and three equivalent Co(3) atoms. Si(1) is bonded in a 14-coordinate geometry to one Ti(3), three equivalent Ti(1), three equivalent Ti(5), three equivalent Ti(6), one Co(3), and three equivalent Co(4) atoms.