Li5Ti2V3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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 Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(3), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. 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(5), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the second V site, V(2) is bonded to one O(10), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(5)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the fourth V site, V(4) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Ti(1), one V(1), and two equivalent V(4) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(8)Li3TiV2 octahedra, and edges with four equivalent O(5)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Ti(2), one V(3), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(7)Li3TiV2 octahedra, and edges with four equivalent O(6)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(7)Li3TiV2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, edges with two equivalent O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, and edges with two equivalent O(9)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(6)Li2TiV3 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra, edges with two equivalent O(7)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, and edges with two equivalent O(9)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth O site, O(5) is bonded to two equivalent Li(4), one Ti(1), one V(1), and two equivalent V(4) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(8)Li3TiV2 octahedra, and edges with four equivalent O(1)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(5), one Ti(2), one V(3), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(6)Li2TiV3 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(7)Li3TiV2 octahedra, and edges with four equivalent O(2)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(5), one Ti(2), one V(2), and one V(3) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4TiV octahedra, edges with two equivalent O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(2)Li2TiV3 octahedra, and edges with three equivalent O(6)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one V(1), and one V(4) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra,  an edgeedge with one O(10)Li4TiV octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(1)Li2TiV3 octahedra, and edges with three equivalent O(5)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one V(4) atom to form OLi4TiV octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(7)Li3TiV2 octahedra,  an edgeedge with one O(10)Li4TiV octahedra, edges with two equivalent O(1)Li2TiV3 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, and edges with two equivalent O(4)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Ti(2), and one V(2) atom to form OLi4TiV octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(9)Li4TiV octahedra, edges with two equivalent O(2)Li2TiV3 octahedra, edges with two equivalent O(6)Li2TiV3 octahedra, edges with two equivalent O(7)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, and edges with two equivalent O(4)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°.
Li5Ti2V3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(3), one O(4), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. The Li(1)-O(10) bond length is 2.14 Å. The Li(1)-O(3) bond length is 2.10 Å. The Li(1)-O(4) bond length is 2.10 Å. The Li(1)-O(7) bond length is 2.29 Å. The Li(1)-O(8) bond length is 2.12 Å. The Li(1)-O(9) bond length is 2.14 Å. In the second Li site, Li(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(4)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  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 Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. The Li(2)-O(10) bond length is 2.18 Å. The Li(2)-O(2) bond length is 2.22 Å. The Li(2)-O(3) bond length is 2.24 Å. The Li(2)-O(4) bond length is 2.18 Å. The Li(2)-O(7) bond length is 2.06 Å. The Li(2)-O(9) bond length is 2.08 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(3), one O(4), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra,  an edgeedge with one V(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Li(3)-O(1) bond length is 2.23 Å. The Li(3)-O(10) bond length is 2.08 Å. The Li(3)-O(3) bond length is 2.20 Å. The Li(3)-O(4) bond length is 2.26 Å. The Li(3)-O(8) bond length is 2.12 Å. The Li(3)-O(9) bond length is 2.17 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(3), one O(8), one O(9), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. The Li(4)-O(1) bond length is 2.25 Å. The Li(4)-O(3) bond length is 2.16 Å. The Li(4)-O(8) bond length is 2.14 Å. The Li(4)-O(9) bond length is 2.03 Å. There is one shorter (2.09 Å) and one longer (2.44 Å) Li(4)-O(5) bond length. In the fifth Li site, Li(5) is bonded to one O(10), one O(2), one O(4), one O(7), and two equivalent O(6) atoms to form LiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-13°. The Li(5)-O(10) bond length is 2.06 Å. The Li(5)-O(2) bond length is 2.18 Å. The Li(5)-O(4) bond length is 2.12 Å. The Li(5)-O(7) bond length is 2.13 Å. There is one shorter (2.11 Å) and one longer (2.42 Å) Li(5)-O(6) 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(5), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. The Ti(1)-O(1) bond length is 1.99 Å. The Ti(1)-O(3) bond length is 2.03 Å. The Ti(1)-O(4) bond length is 1.91 Å. The Ti(1)-O(5) bond length is 2.12 Å. The Ti(1)-O(8) bond length is 2.04 Å. The Ti(1)-O(9) bond length is 1.93 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form TiO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with three equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-13°. The Ti(2)-O(10) bond length is 1.89 Å. The Ti(2)-O(2) bond length is 2.00 Å. The Ti(2)-O(3) bond length is 1.92 Å. The Ti(2)-O(4) bond length is 2.05 Å. The Ti(2)-O(6) bond length is 2.09 Å. The Ti(2)-O(7) bond length is 2.13 Å. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent O(8) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent V(4)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with four equivalent Li(4)O6 octahedra, and edges with four equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. Both V(1)-O(1) bond lengths are 2.17 Å. Both V(1)-O(5) bond lengths are 2.11 Å. Both V(1)-O(8) bond lengths are 2.15 Å. In the second V site, V(2) is bonded to one O(10), one O(7), two equivalent O(2), and two equivalent O(6) atoms to form VO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one V(3)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, edges with three equivalent Li(5)O6 octahedra, and edges with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. The V(2)-O(10) bond length is 2.12 Å. The V(2)-O(7) bond length is 2.10 Å. There is one shorter (2.13 Å) and one longer (2.17 Å) V(2)-O(2) bond length. There is one shorter (2.14 Å) and one longer (2.17 Å) V(2)-O(6) bond length. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent O(6), and two equivalent O(7) atoms to form VO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with four equivalent Li(5)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. Both V(3)-O(2) bond lengths are 2.14 Å. Both V(3)-O(6) bond lengths are 2.04 Å. Both V(3)-O(7) bond lengths are 2.03 Å. In the fourth V site, V(4) is bonded to one O(8), one O(9), two equivalent O(1), and two equivalent O(5) atoms to form VO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Li(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(4)O6 octahedra, edges with three equivalent Li(4)O6 octahedra, and edges with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The V(4)-O(8) bond length is 2.08 Å. The V(4)-O(9) bond length is 2.11 Å. There is one shorter (2.11 Å) and one longer (2.18 Å) V(4)-O(1) bond length. There is one shorter (2.04 Å) and one longer (2.10 Å) V(4)-O(5) bond length. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Ti(1), one V(1), and two equivalent V(4) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(8)Li3TiV2 octahedra, and edges with four equivalent O(5)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Ti(2), one V(3), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(7)Li3TiV2 octahedra, and edges with four equivalent O(6)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(5)Li2TiV3 octahedra,  an edgeedge with one O(7)Li3TiV2 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, edges with two equivalent O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, and edges with two equivalent O(9)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(1)Li2TiV3 octahedra,  an edgeedge with one O(2)Li2TiV3 octahedra,  an edgeedge with one O(6)Li2TiV3 octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra, edges with two equivalent O(7)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, and edges with two equivalent O(9)Li4TiV octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fifth O site, O(5) is bonded to two equivalent Li(4), one Ti(1), one V(1), and two equivalent V(4) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(8)Li3TiV2 octahedra, and edges with four equivalent O(1)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the sixth O site, O(6) is bonded to two equivalent Li(5), one Ti(2), one V(3), and two equivalent V(2) atoms to form OLi2TiV3 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra, edges with two equivalent O(6)Li2TiV3 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(7)Li3TiV2 octahedra, and edges with four equivalent O(2)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the seventh O site, O(7) is bonded to one Li(1), one Li(2), one Li(5), one Ti(2), one V(2), and one V(3) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(3)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4TiV octahedra, edges with two equivalent O(4)Li4Ti2 octahedra, edges with two equivalent O(10)Li4TiV octahedra, edges with three equivalent O(2)Li2TiV3 octahedra, and edges with three equivalent O(6)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-13°. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(4), one Ti(1), one V(1), and one V(4) atom to form OLi3TiV2 octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(4)Li4Ti2 octahedra,  an edgeedge with one O(10)Li4TiV octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, edges with two equivalent O(9)Li4TiV octahedra, edges with three equivalent O(1)Li2TiV3 octahedra, and edges with three equivalent O(5)Li2TiV3 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one V(4) atom to form OLi4TiV octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(5)Li2TiV3 octahedra,  a cornercorner with one O(8)Li3TiV2 octahedra,  a cornercorner with one O(3)Li4Ti2 octahedra,  a cornercorner with one O(10)Li4TiV octahedra,  an edgeedge with one O(7)Li3TiV2 octahedra,  an edgeedge with one O(10)Li4TiV octahedra, edges with two equivalent O(1)Li2TiV3 octahedra, edges with two equivalent O(5)Li2TiV3 octahedra, edges with two equivalent O(8)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, and edges with two equivalent O(4)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(3), one Li(5), one Ti(2), and one V(2) atom to form OLi4TiV octahedra that share  a cornercorner with one O(1)Li2TiV3 octahedra,  a cornercorner with one O(2)Li2TiV3 octahedra,  a cornercorner with one O(6)Li2TiV3 octahedra,  a cornercorner with one O(7)Li3TiV2 octahedra,  a cornercorner with one O(4)Li4Ti2 octahedra,  a cornercorner with one O(9)Li4TiV octahedra,  an edgeedge with one O(8)Li3TiV2 octahedra,  an edgeedge with one O(9)Li4TiV octahedra, edges with two equivalent O(2)Li2TiV3 octahedra, edges with two equivalent O(6)Li2TiV3 octahedra, edges with two equivalent O(7)Li3TiV2 octahedra, edges with two equivalent O(3)Li4Ti2 octahedra, and edges with two equivalent O(4)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 1-10°.