Li2V3TeO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form TeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. In the second Te site, Te(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form TeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one V(3), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one Te(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Te(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Te(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(5), and one Te(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(5), and one Te(2) atom.
Li2V3TeO8 is Spinel-derived structured and crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one V(4)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-63°. The Li(1)-O(1) bond length is 2.13 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.03 Å. The Li(1)-O(7) bond length is 2.04 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one Te(1)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent V(4)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with three equivalent V(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-63°. The Li(2)-O(2) bond length is 2.12 Å. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.06 Å. The Li(2)-O(8) bond length is 2.04 Å. There are five inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Both V(1)-O(1) bond lengths are 2.04 Å. Both V(1)-O(3) bond lengths are 2.04 Å. Both V(1)-O(5) bond lengths are 2.09 Å. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(1)O6 octahedra. Both V(2)-O(1) bond lengths are 2.03 Å. Both V(2)-O(3) bond lengths are 2.11 Å. Both V(2)-O(7) bond lengths are 2.02 Å. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(4)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. Both V(3)-O(2) bond lengths are 2.03 Å. Both V(3)-O(4) bond lengths are 2.13 Å. Both V(3)-O(8) bond lengths are 2.07 Å. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(6) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(5)O6 octahedra, and edges with two equivalent Te(2)O6 octahedra. Both V(4)-O(2) bond lengths are 2.04 Å. Both V(4)-O(4) bond lengths are 2.03 Å. Both V(4)-O(6) bond lengths are 2.10 Å. In the fifth V site, V(5) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra,  an edgeedge with one V(4)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The V(5)-O(1) bond length is 2.03 Å. The V(5)-O(2) bond length is 2.04 Å. The V(5)-O(5) bond length is 2.08 Å. The V(5)-O(6) bond length is 2.04 Å. The V(5)-O(7) bond length is 2.12 Å. The V(5)-O(8) bond length is 2.07 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to two equivalent O(3), two equivalent O(5), and two equivalent O(7) atoms to form TeO6 octahedra that share corners with two equivalent Li(2)O4 tetrahedra, corners with four equivalent Li(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. Both Te(1)-O(3) bond lengths are 2.10 Å. Both Te(1)-O(5) bond lengths are 2.10 Å. Both Te(1)-O(7) bond lengths are 2.11 Å. In the second Te site, Te(2) is bonded to two equivalent O(4), two equivalent O(6), and two equivalent O(8) atoms to form TeO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with four equivalent Li(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, edges with two equivalent V(4)O6 octahedra, and edges with two equivalent V(5)O6 octahedra. Both Te(2)-O(4) bond lengths are 2.11 Å. Both Te(2)-O(6) bond lengths are 2.11 Å. Both Te(2)-O(8) bond lengths are 2.12 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one V(1), one V(2), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one V(3), one V(4), and one V(5) atom to form distorted corner-sharing OLiV3 trigonal pyramids. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(1), one V(2), and one Te(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(3), one V(4), and one Te(2) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(1), one V(5), and one Te(1) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(4), one V(5), and one Te(2) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(1), one V(2), one V(5), and one Te(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(2), one V(3), one V(5), and one Te(2) atom.