Li2Ti2V3O10 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(10), one O(7), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-68°. In the second Li site, Li(2) is bonded to one O(2), one O(8), one O(9), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-34°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 11°. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. There are three inequivalent V sites. In the first V site, V(1) 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  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-23°. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 23°. In the third V site, V(3) is bonded to one O(5), one O(6), one O(7), one O(9), and two equivalent O(2) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 17°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one V(1), and two equivalent V(2) atoms to form OLiTiV3 square pyramids that share  a cornercorner with one O(2)LiTiV3 square pyramid,  a cornercorner with one O(3)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2Ti2 tetrahedra,  an edgeedge with one O(1)LiTiV3 square pyramid, and  an edgeedge with one O(3)Li2Ti2 tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Ti(2), one V(1), and two equivalent V(3) atoms to form OLiTiV3 square pyramids that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(3)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2Ti2 tetrahedra,  an edgeedge with one O(2)LiTiV3 square pyramid, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and one Ti(2) atom to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(1)LiTiV3 square pyramid,  an edgeedge with one O(3)Li2Ti2 tetrahedra, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(3)Li2Ti2 tetrahedra, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), 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 Ti(1), one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Ti(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one V(2) atom.
Li2Ti2V3O10 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(10), one O(7), and two equivalent O(3) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 5-68°. The Li(1)-O(1) bond length is 2.39 Å. The Li(1)-O(10) bond length is 2.00 Å. The Li(1)-O(7) bond length is 2.22 Å. There is one shorter (2.01 Å) and one longer (2.03 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(2), one O(8), one O(9), and two equivalent O(4) atoms to form distorted LiO5 square pyramids that share  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 8-34°. The Li(2)-O(2) bond length is 2.41 Å. The Li(2)-O(8) bond length is 2.09 Å. The Li(2)-O(9) bond length is 2.03 Å. There is one shorter (2.02 Å) and one longer (2.06 Å) Li(2)-O(4) bond length. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form distorted TiO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid, corners with two equivalent Li(2)O5 square pyramids,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 11°. The Ti(1)-O(1) bond length is 2.04 Å. The Ti(1)-O(3) bond length is 1.90 Å. The Ti(1)-O(4) bond length is 1.92 Å. The Ti(1)-O(6) bond length is 2.18 Å. The Ti(1)-O(8) bond length is 2.10 Å. The Ti(1)-O(9) bond length is 1.88 Å. In the second Ti site, Ti(2) is bonded in a 6-coordinate geometry to one O(10), one O(2), one O(3), one O(4), one O(5), and one O(7) atom. The Ti(2)-O(10) bond length is 1.81 Å. The Ti(2)-O(2) bond length is 2.05 Å. The Ti(2)-O(3) bond length is 1.92 Å. The Ti(2)-O(4) bond length is 1.89 Å. The Ti(2)-O(5) bond length is 2.13 Å. The Ti(2)-O(7) bond length is 2.30 Å. There are three inequivalent V sites. In the first V site, V(1) 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  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra,  an edgeedge with one Li(1)O5 square pyramid, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles range from 11-23°. The V(1)-O(1) bond length is 2.13 Å. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(5) bond length is 2.03 Å. The V(1)-O(6) bond length is 2.05 Å. The V(1)-O(7) bond length is 2.04 Å. The V(1)-O(8) bond length is 1.97 Å. In the second V site, V(2) is bonded to one O(10), one O(5), one O(6), one O(8), and two equivalent O(1) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(1)O5 square pyramid. The corner-sharing octahedral tilt angles are 23°. The V(2)-O(10) bond length is 1.99 Å. The V(2)-O(5) bond length is 2.09 Å. The V(2)-O(6) bond length is 2.06 Å. The V(2)-O(8) bond length is 1.97 Å. There is one shorter (2.09 Å) and one longer (2.15 Å) V(2)-O(1) bond length. In the third V site, V(3) is bonded to one O(5), one O(6), one O(7), one O(9), and two equivalent O(2) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Li(1)O5 square pyramid,  a cornercorner with one Li(2)O5 square pyramid,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and  an edgeedge with one Li(2)O5 square pyramid. The corner-sharing octahedral tilt angles are 17°. The V(3)-O(5) bond length is 2.03 Å. The V(3)-O(6) bond length is 1.98 Å. The V(3)-O(7) bond length is 1.81 Å. The V(3)-O(9) bond length is 1.89 Å. There is one shorter (2.04 Å) and one longer (2.22 Å) V(3)-O(2) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Ti(1), one V(1), and two equivalent V(2) atoms to form OLiTiV3 square pyramids that share  a cornercorner with one O(2)LiTiV3 square pyramid,  a cornercorner with one O(3)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2Ti2 tetrahedra,  an edgeedge with one O(1)LiTiV3 square pyramid, and  an edgeedge with one O(3)Li2Ti2 tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Ti(2), one V(1), and two equivalent V(3) atoms to form OLiTiV3 square pyramids that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(3)Li2Ti2 tetrahedra,  a cornercorner with one O(4)Li2Ti2 tetrahedra,  an edgeedge with one O(2)LiTiV3 square pyramid, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the third O site, O(3) is bonded to two equivalent Li(1), one Ti(1), and one Ti(2) atom to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(1)LiTiV3 square pyramid,  an edgeedge with one O(3)Li2Ti2 tetrahedra, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Li(2), one Ti(1), and one Ti(2) atom to form OLi2Ti2 tetrahedra that share  a cornercorner with one O(1)LiTiV3 square pyramid,  a cornercorner with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(2)LiTiV3 square pyramid,  an edgeedge with one O(3)Li2Ti2 tetrahedra, and  an edgeedge with one O(4)Li2Ti2 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Ti(2), one V(1), 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 Ti(1), one V(1), one V(2), and one V(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Ti(2), one V(1), and one V(3) atom. In the eighth O site, O(8) is bonded in a see-saw-like geometry to one Li(2), one Ti(1), one V(1), and one V(2) atom. In the ninth O site, O(9) is bonded in a distorted T-shaped geometry to one Li(2), one Ti(1), and one V(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(1), one Ti(2), and one V(2) atom.