Li4Ti3V3(SbO8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the second Ti site, Ti(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), one Ti(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), one Ti(1), one Ti(2), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), one Ti(3), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), one V(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), one V(1), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ti(3), one V(2), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Ti(3), one V(3), and one Sb(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(2), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one V(2), one V(3), and one Sb(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Sb(2) atom.
Li4Ti3V3(SbO8)2 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-62°. The Li(1)-O(11) bond length is 2.00 Å. The Li(1)-O(12) bond length is 1.97 Å. The Li(1)-O(15) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.32 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(14), one O(16), one O(5), and one O(9) atom. The Li(2)-O(14) bond length is 2.01 Å. The Li(2)-O(16) bond length is 2.02 Å. The Li(2)-O(5) bond length is 1.92 Å. The Li(2)-O(9) bond length is 2.00 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. The Li(3)-O(1) bond length is 1.98 Å. The Li(3)-O(10) bond length is 2.04 Å. The Li(3)-O(4) bond length is 1.94 Å. The Li(3)-O(6) bond length is 2.02 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Ti(3)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, and corners with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Li(4)-O(13) bond length is 2.34 Å. The Li(4)-O(2) bond length is 2.01 Å. The Li(4)-O(7) bond length is 1.99 Å. The Li(4)-O(8) bond length is 1.98 Å. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The Ti(1)-O(14) bond length is 2.15 Å. The Ti(1)-O(2) bond length is 1.94 Å. The Ti(1)-O(3) bond length is 2.00 Å. The Ti(1)-O(4) bond length is 1.99 Å. The Ti(1)-O(7) bond length is 1.85 Å. The Ti(1)-O(9) bond length is 2.09 Å. In the second Ti site, Ti(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The Ti(2)-O(16) bond length is 2.13 Å. The Ti(2)-O(2) bond length is 1.93 Å. The Ti(2)-O(3) bond length is 1.99 Å. The Ti(2)-O(4) bond length is 2.00 Å. The Ti(2)-O(8) bond length is 1.86 Å. The Ti(2)-O(9) bond length is 2.09 Å. In the third Ti site, Ti(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The Ti(3)-O(1) bond length is 2.14 Å. The Ti(3)-O(11) bond length is 1.90 Å. The Ti(3)-O(12) bond length is 1.86 Å. The Ti(3)-O(13) bond length is 2.00 Å. The Ti(3)-O(5) bond length is 1.98 Å. The Ti(3)-O(6) bond length is 2.17 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The V(1)-O(14) bond length is 2.03 Å. The V(1)-O(16) bond length is 2.03 Å. The V(1)-O(3) bond length is 2.11 Å. The V(1)-O(4) bond length is 2.10 Å. The V(1)-O(7) bond length is 2.02 Å. The V(1)-O(8) bond length is 2.02 Å. In the second V site, V(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The V(2)-O(1) bond length is 2.05 Å. The V(2)-O(10) bond length is 2.05 Å. The V(2)-O(11) bond length is 2.00 Å. The V(2)-O(13) bond length is 2.01 Å. The V(2)-O(15) bond length is 1.81 Å. The V(2)-O(5) bond length is 2.03 Å. In the third V site, V(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The V(3)-O(10) bond length is 2.04 Å. The V(3)-O(12) bond length is 2.02 Å. The V(3)-O(13) bond length is 2.09 Å. The V(3)-O(15) bond length is 2.06 Å. The V(3)-O(5) bond length is 2.08 Å. The V(3)-O(6) bond length is 2.03 Å. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. The Sb(1)-O(1) bond length is 2.08 Å. The Sb(1)-O(10) bond length is 2.12 Å. The Sb(1)-O(2) bond length is 2.66 Å. The Sb(1)-O(6) bond length is 2.06 Å. The Sb(1)-O(7) bond length is 2.69 Å. The Sb(1)-O(8) bond length is 2.67 Å. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. The Sb(2)-O(11) bond length is 2.63 Å. The Sb(2)-O(12) bond length is 2.66 Å. The Sb(2)-O(14) bond length is 2.07 Å. The Sb(2)-O(15) bond length is 2.66 Å. The Sb(2)-O(16) bond length is 2.08 Å. The Sb(2)-O(9) bond length is 2.09 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(2), and one Sb(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), one Ti(2), and one Sb(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Ti(1), one Ti(2), and one V(1) atom. In the fourth O site, O(4) is bonded in a distorted tetrahedral geometry to one Li(3), one Ti(1), one Ti(2), and one V(1) atom. In the fifth O site, O(5) is bonded in a distorted tetrahedral geometry to one Li(2), one Ti(3), one V(2), and one V(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(3), one V(3), and one Sb(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(4), one Ti(1), one V(1), and one Sb(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), one V(1), and one Sb(1) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one Ti(2), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one V(2), one V(3), and one Sb(1) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Li(1), one Ti(3), one V(2), and one Sb(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Li(1), one Ti(3), one V(3), and one Sb(2) atom. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(3), one V(2), and one V(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one Sb(2) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Li(1), one V(2), one V(3), and one Sb(2) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Sb(2) atom.