The crystal structure described by Li3Ti3VO8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(4), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(2), one O(3), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with four equivalent Ti(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth Li site, Li(6) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(14), one O(15), one O(4), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ti site, Ti(2) is bonded to one O(13), one O(16), one O(2), one O(3), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) atom to form TiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ti(3), and one Ti(5) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(3)Li3Ti3 octahedra, corners with four equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(10)Li2Ti2V square pyramids, and edges with two equivalent O(15)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ti(2), one Ti(4), and one Ti(6) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(4)Li3Ti3 octahedra, corners with four equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(16)Li2Ti2V square pyramids, and edges with two equivalent O(9)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(5), one Ti(2), one Ti(4), and one Ti(5) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(1)Li3Ti3 octahedra, corners with four equivalent O(2)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(16)Li2Ti2V square pyramids, and edges with two equivalent O(9)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Ti(1), one Ti(3), and one Ti(6) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(2)Li3Ti3 octahedra, corners with four equivalent O(1)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(10)Li2Ti2V square pyramids, and edges with two equivalent O(15)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Ti(3), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(12)Li2Ti2V square pyramids, corners with three equivalent O(11)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Ti(4), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(11)Li2Ti2V square pyramids, corners with three equivalent O(12)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Ti(1), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid, corners with two equivalent O(14)Li2Ti2V square pyramids, corners with three equivalent O(13)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one Ti(2), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(13)Li2Ti2V square pyramids, corners with three equivalent O(14)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(6)Li2Ti2V square pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(4), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid, corners with four equivalent O(16)Li2Ti2V square pyramids, edges with two equivalent O(2)Li3Ti3 octahedra, edges with two equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with four equivalent O(15)Li2Ti2V square pyramids, edges with two equivalent O(1)Li3Ti3 octahedra, edges with two equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Ti(4), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(6)Li2Ti2V square pyramids, corners with three equivalent O(5)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the twelfth O site, O(12) is bonded to one Li(3), one Li(6), one Ti(3), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(5)Li2Ti2V square pyramids, corners with three equivalent O(6)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Ti(2), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid, corners with two equivalent O(8)Li2Ti2V square pyramids, corners with three equivalent O(7)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Ti(1), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(7)Li2Ti2V square pyramids, corners with three equivalent O(8)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(6)Li2Ti2V square pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Ti(1), one Ti(3), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with four equivalent O(10)Li2Ti2V square pyramids, edges with two equivalent O(1)Li3Ti3 octahedra, edges with two equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(4), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with four equivalent O(9)Li2Ti2V square pyramids, edges with two equivalent O(2)Li3Ti3 octahedra, edges with two equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. is represented by the CIF file [CIF]
data_Li3Ti3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   6.032
_cell_length_c   5.911
_cell_angle_alpha   60.662
_cell_angle_beta   60.053
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   150.526
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  1.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  1.000  0.501  0.499  1.0
  O  O3  1  0.745  0.234  0.511  1.0
  O  O4  1  0.255  0.765  0.489  1.0
  O  O5  1  0.243  0.221  0.514  1.0
  O  O6  1  0.735  0.221  0.022  1.0
  O  O7  1  0.243  0.221  0.022  1.0
  O  O8  1  0.757  0.779  0.485  1.0
  O  O9  1  0.264  0.779  0.977  1.0
  O  O10  1  0.757  0.779  0.978  1.0
  Ti  Ti11  1  0.501  0.001  1.000  1.0
  Ti  Ti12  1  0.001  0.001  0.500  1.0
  Ti  Ti13  1  0.500  0.999  0.501  1.0
  V  V14  1  0.000  0.000  1.000  1.0
[/CIF]
.
The crystal structure described by Li3Ti3VO8 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(10), one O(13), one O(15), one O(4), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(2), one O(3), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Li site, Li(3) is bonded to one O(12), one O(16), one O(2), one O(3), one O(5), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Ti(3)O6 octahedra, corners with four equivalent Ti(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(11), one O(15), one O(4), and one O(6) atom to form LiO6 octahedra that share corners with two equivalent Ti(4)O6 octahedra, corners with four equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fifth Li site, Li(5) is bonded to one O(1), one O(11), one O(13), one O(3), one O(5), and one O(7) atom to form LiO6 octahedra that share corners with two equivalent Ti(5)O6 octahedra, corners with four equivalent Ti(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixth Li site, Li(6) is bonded to one O(12), one O(14), one O(2), one O(4), one O(6), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Ti(6)O6 octahedra, corners with four equivalent Ti(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-7°. There are six inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(14), one O(15), one O(4), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Li(2)O6 octahedra, corners with four equivalent Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Ti site, Ti(2) is bonded to one O(13), one O(16), one O(2), one O(3), one O(8), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the third Ti site, Ti(3) is bonded to one O(1), one O(10), one O(12), one O(15), one O(4), and one O(5) atom to form TiO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with four equivalent Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the fourth Ti site, Ti(4) is bonded to one O(11), one O(16), one O(2), one O(3), one O(6), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(4)O6 octahedra, corners with four equivalent Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Ti(5)O6 octahedra,  an edgeedge with one Ti(6)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the fifth Ti site, Ti(5) is bonded to one O(1), one O(12), one O(14), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with two equivalent Li(5)O6 octahedra, corners with four equivalent Li(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the sixth Ti site, Ti(6) is bonded to one O(11), one O(13), one O(2), one O(4), one O(5), and one O(7) atom to form TiO6 octahedra that share corners with two equivalent Li(6)O6 octahedra, corners with four equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(10), one O(12), one O(14), one O(16), one O(6), and one O(8) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Ti(5)O6 octahedra. In the second V site, V(2) is bonded to one O(11), one O(13), one O(15), one O(5), one O(7), and one O(9) atom to form VO6 octahedra that share  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Ti(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(6)O6 octahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(4), one Li(5), one Ti(1), one Ti(3), and one Ti(5) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(3)Li3Ti3 octahedra, corners with four equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(10)Li2Ti2V square pyramids, and edges with two equivalent O(15)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Li(6), one Ti(2), one Ti(4), and one Ti(6) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(4)Li3Ti3 octahedra, corners with four equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(16)Li2Ti2V square pyramids, and edges with two equivalent O(9)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the third O site, O(3) is bonded to one Li(2), one Li(3), one Li(5), one Ti(2), one Ti(4), and one Ti(5) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(1)Li3Ti3 octahedra, corners with four equivalent O(2)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(16)Li2Ti2V square pyramids, and edges with two equivalent O(9)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Li(6), one Ti(1), one Ti(3), and one Ti(6) atom to form OLi3Ti3 octahedra that share corners with two equivalent O(2)Li3Ti3 octahedra, corners with four equivalent O(1)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid,  an edgeedge with one O(8)Li2Ti2V square pyramid, edges with two equivalent O(10)Li2Ti2V square pyramids, and edges with two equivalent O(15)Li2Ti2V square pyramids. The corner-sharing octahedral tilt angles range from 1-3°. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Ti(3), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(12)Li2Ti2V square pyramids, corners with three equivalent O(11)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Ti(4), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(11)Li2Ti2V square pyramids, corners with three equivalent O(12)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(5), one Ti(1), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid, corners with two equivalent O(14)Li2Ti2V square pyramids, corners with three equivalent O(13)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(6), one Ti(2), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(13)Li2Ti2V square pyramids, corners with three equivalent O(14)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(6)Li2Ti2V square pyramid. In the ninth O site, O(9) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(4), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid, corners with four equivalent O(16)Li2Ti2V square pyramids, edges with two equivalent O(2)Li3Ti3 octahedra, edges with two equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the tenth O site, O(10) is bonded to one Li(1), one Li(4), one Ti(1), one Ti(3), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with four equivalent O(15)Li2Ti2V square pyramids, edges with two equivalent O(1)Li3Ti3 octahedra, edges with two equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the eleventh O site, O(11) is bonded to one Li(4), one Li(5), one Ti(4), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with two equivalent O(6)Li2Ti2V square pyramids, corners with three equivalent O(5)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(7)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the twelfth O site, O(12) is bonded to one Li(3), one Li(6), one Ti(3), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(5)Li2Ti2V square pyramids, corners with three equivalent O(6)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. In the thirteenth O site, O(13) is bonded to one Li(1), one Li(5), one Ti(2), one Ti(6), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(16)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid, corners with two equivalent O(8)Li2Ti2V square pyramids, corners with three equivalent O(7)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(15)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(9)Li2Ti2V square pyramid. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(6), one Ti(1), one Ti(5), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(15)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with two equivalent O(7)Li2Ti2V square pyramids, corners with three equivalent O(8)Li2Ti2V square pyramids,  an edgeedge with one O(1)Li3Ti3 octahedra,  an edgeedge with one O(2)Li3Ti3 octahedra,  an edgeedge with one O(3)Li3Ti3 octahedra,  an edgeedge with one O(4)Li3Ti3 octahedra,  an edgeedge with one O(10)Li2Ti2V square pyramid,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(16)Li2Ti2V square pyramid, and  an edgeedge with one O(6)Li2Ti2V square pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), one Li(4), one Ti(1), one Ti(3), and one V(2) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(12)Li2Ti2V square pyramid,  a cornercorner with one O(14)Li2Ti2V square pyramid,  a cornercorner with one O(6)Li2Ti2V square pyramid,  a cornercorner with one O(8)Li2Ti2V square pyramid,  a cornercorner with one O(9)Li2Ti2V square pyramid, corners with four equivalent O(10)Li2Ti2V square pyramids, edges with two equivalent O(1)Li3Ti3 octahedra, edges with two equivalent O(4)Li3Ti3 octahedra,  an edgeedge with one O(11)Li2Ti2V square pyramid,  an edgeedge with one O(13)Li2Ti2V square pyramid,  an edgeedge with one O(5)Li2Ti2V square pyramid, and  an edgeedge with one O(7)Li2Ti2V square pyramid. In the sixteenth O site, O(16) is bonded to one Li(2), one Li(3), one Ti(2), one Ti(4), and one V(1) atom to form OLi2Ti2V square pyramids that share  a cornercorner with one O(10)Li2Ti2V square pyramid,  a cornercorner with one O(11)Li2Ti2V square pyramid,  a cornercorner with one O(13)Li2Ti2V square pyramid,  a cornercorner with one O(5)Li2Ti2V square pyramid,  a cornercorner with one O(7)Li2Ti2V square pyramid, corners with four equivalent O(9)Li2Ti2V square pyramids, edges with two equivalent O(2)Li3Ti3 octahedra, edges with two equivalent O(3)Li3Ti3 octahedra,  an edgeedge with one O(12)Li2Ti2V square pyramid,  an edgeedge with one O(14)Li2Ti2V square pyramid,  an edgeedge with one O(6)Li2Ti2V square pyramid, and  an edgeedge with one O(8)Li2Ti2V square pyramid. is represented by the CIF file [CIF]
data_Li3Ti3VO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.910
_cell_length_b   6.032
_cell_length_c   5.911
_cell_angle_alpha   60.662
_cell_angle_beta   60.053
_cell_angle_gamma   90.038
_symmetry_Int_Tables_number   1
_cell_volume   150.526
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  1.000  0.500  0.000  1.0
  Li  Li1  1  0.500  0.500  0.500  1.0
  Li  Li2  1  1.000  0.501  0.499  1.0
  O  O3  1  0.745  0.234  0.511  1.0
  O  O4  1  0.255  0.765  0.489  1.0
  O  O5  1  0.243  0.221  0.514  1.0
  O  O6  1  0.735  0.221  0.022  1.0
  O  O7  1  0.243  0.221  0.022  1.0
  O  O8  1  0.757  0.779  0.485  1.0
  O  O9  1  0.264  0.779  0.977  1.0
  O  O10  1  0.757  0.779  0.978  1.0
  Ti  Ti11  1  0.501  0.001  1.000  1.0
  Ti  Ti12  1  0.001  0.001  0.500  1.0
  Ti  Ti13  1  0.500  0.999  0.501  1.0
  V  V14  1  0.000  0.000  1.000  1.0
[/CIF]
.