Li4Ti3V3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(12) atoms. In the third Li site, Li(3) is bonded to one O(3), one O(6), and two equivalent O(9) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form VO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. In the second V site, V(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(10), and two equivalent O(9) atoms. In the second Te site, Te(2) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form distorted TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(2), and one V(1) atom. In the third O site, O(3) is bonded to one Li(3), two equivalent Ti(2), and one V(1) atom to form distorted edge-sharing OLiTi2V tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Ti(1), and two equivalent V(2) atoms to form OLiTiV2 tetrahedra that share  a cornercorner with one O(5)LiTi2Te tetrahedra and corners with two equivalent O(8)LiV2Te tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Te(2) atom to form distorted OLiTi2Te tetrahedra that share  a cornercorner with one O(4)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiV2Te tetrahedra, and  an edgeedge with one O(3)LiTi2V tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent V(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded to one Li(1), two equivalent V(2), and one Te(2) atom to form distorted OLiV2Te tetrahedra that share  a cornercorner with one O(5)LiTi2Te tetrahedra and corners with two equivalent O(4)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(2), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), one V(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Te(2) atom.
Li4Ti3V3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(2), one O(8), and two equivalent O(11) atoms to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-67°. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(8) bond length is 2.02 Å. Both Li(1)-O(11) bond lengths are 2.00 Å. In the second Li site, Li(2) is bonded in a rectangular see-saw-like geometry to one O(4), one O(5), and two equivalent O(12) atoms. The Li(2)-O(4) bond length is 1.88 Å. The Li(2)-O(5) bond length is 1.94 Å. Both Li(2)-O(12) bond lengths are 2.01 Å. In the third Li site, Li(3) is bonded to one O(3), one O(6), and two equivalent O(9) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 60-62°. The Li(3)-O(3) bond length is 1.90 Å. The Li(3)-O(6) bond length is 2.04 Å. Both Li(3)-O(9) bond lengths are 2.05 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(7), and two equivalent O(10) atoms to form LiO4 tetrahedra that share  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and corners with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-61°. The Li(4)-O(1) bond length is 2.05 Å. The Li(4)-O(7) bond length is 2.19 Å. Both Li(4)-O(10) bond lengths are 2.02 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(4), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TiO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with four equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Ti(1)-O(4) bond length is 1.95 Å. The Ti(1)-O(7) bond length is 1.98 Å. Both Ti(1)-O(11) bond lengths are 1.87 Å. Both Ti(1)-O(9) bond lengths are 2.24 Å. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form TiO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. The Ti(2)-O(1) bond length is 1.98 Å. The Ti(2)-O(10) bond length is 1.87 Å. The Ti(2)-O(12) bond length is 2.20 Å. The Ti(2)-O(2) bond length is 2.00 Å. The Ti(2)-O(3) bond length is 2.01 Å. The Ti(2)-O(5) bond length is 1.96 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), two equivalent O(10), and two equivalent O(12) atoms to form VO6 octahedra that share corners with two equivalent Te(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, and edges with four equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(3) bond length is 2.11 Å. Both V(1)-O(10) bond lengths are 2.02 Å. Both V(1)-O(12) bond lengths are 2.09 Å. In the second V site, V(2) is bonded to one O(11), one O(4), one O(6), one O(7), one O(8), and one O(9) atom to form VO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The V(2)-O(11) bond length is 2.13 Å. The V(2)-O(4) bond length is 2.06 Å. The V(2)-O(6) bond length is 2.13 Å. The V(2)-O(7) bond length is 2.06 Å. The V(2)-O(8) bond length is 2.13 Å. The V(2)-O(9) bond length is 2.16 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded in a 6-coordinate geometry to one O(1), one O(6), two equivalent O(10), and two equivalent O(9) atoms. The Te(1)-O(1) bond length is 2.58 Å. The Te(1)-O(6) bond length is 2.01 Å. Both Te(1)-O(10) bond lengths are 2.63 Å. Both Te(1)-O(9) bond lengths are 1.97 Å. In the second Te site, Te(2) is bonded to one O(5), one O(8), two equivalent O(11), and two equivalent O(12) atoms to form distorted TeO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. The Te(2)-O(5) bond length is 2.45 Å. The Te(2)-O(8) bond length is 2.03 Å. Both Te(2)-O(11) bond lengths are 2.39 Å. Both Te(2)-O(12) bond lengths are 2.04 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(4), two equivalent Ti(2), and one Te(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Ti(2), and one V(1) atom. In the third O site, O(3) is bonded to one Li(3), two equivalent Ti(2), and one V(1) atom to form distorted edge-sharing OLiTi2V tetrahedra. In the fourth O site, O(4) is bonded to one Li(2), one Ti(1), and two equivalent V(2) atoms to form OLiTiV2 tetrahedra that share  a cornercorner with one O(5)LiTi2Te tetrahedra and corners with two equivalent O(8)LiV2Te tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Ti(2), and one Te(2) atom to form distorted OLiTi2Te tetrahedra that share  a cornercorner with one O(4)LiTiV2 tetrahedra,  a cornercorner with one O(8)LiV2Te tetrahedra, and  an edgeedge with one O(3)LiTi2V tetrahedra. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent V(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), and two equivalent V(2) atoms. In the eighth O site, O(8) is bonded to one Li(1), two equivalent V(2), and one Te(2) atom to form distorted OLiV2Te tetrahedra that share  a cornercorner with one O(5)LiTi2Te tetrahedra and corners with two equivalent O(4)LiTiV2 tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one V(2), and one Te(1) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(4), one Ti(2), one V(1), and one Te(1) atom. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(1), one V(2), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one V(1), and one Te(2) atom.