Li5Ti2Mn3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 5-13°. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(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,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), one O(6), 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 Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)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 4-10°. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the fifth Li site, Li(5) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(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 Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)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 Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(4)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 Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra, corners with two equivalent O(6)Li4TiMn octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, and edges with two equivalent O(5)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) 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)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, edges with two equivalent O(9)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiMn octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(9)Li4Ti2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, and edges with two equivalent O(7)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(5), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(7)Li3TiMn2 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(9)Li4Ti2 octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one Mn(2) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(10)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(9)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ti(2), and one Mn(3) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(1)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(9)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Mn(1), and one Mn(2) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(4)Li3TiMn2 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(5)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(2)Li4Ti2 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(3)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiMn octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra, corners with two equivalent O(5)Li4TiMn octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°.
Li5Ti2Mn3O10 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are five inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)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 5-13°. The Li(1)-O(10) bond length is 2.17 Å. The Li(1)-O(2) bond length is 2.39 Å. The Li(1)-O(4) bond length is 2.11 Å. The Li(1)-O(5) bond length is 2.10 Å. The Li(1)-O(6) bond length is 2.16 Å. The Li(1)-O(9) bond length is 2.21 Å. In the second Li site, Li(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(8) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(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,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. The Li(2)-O(1) bond length is 2.11 Å. The Li(2)-O(2) bond length is 2.18 Å. The Li(2)-O(3) bond length is 2.20 Å. The Li(2)-O(5) bond length is 2.14 Å. The Li(2)-O(7) bond length is 2.15 Å. The Li(2)-O(8) bond length is 2.41 Å. In the third Li site, Li(3) is bonded to one O(2), one O(4), one O(5), one O(6), 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 Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)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 4-10°. The Li(3)-O(2) bond length is 2.07 Å. The Li(3)-O(4) bond length is 2.37 Å. The Li(3)-O(5) bond length is 2.20 Å. The Li(3)-O(6) bond length is 2.17 Å. The Li(3)-O(7) bond length is 2.26 Å. The Li(3)-O(9) bond length is 2.07 Å. In the fourth Li site, Li(4) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. The Li(4)-O(1) bond length is 2.15 Å. The Li(4)-O(2) bond length is 2.20 Å. The Li(4)-O(5) bond length is 2.16 Å. The Li(4)-O(6) bond length is 2.10 Å. The Li(4)-O(7) bond length is 2.12 Å. The Li(4)-O(9) bond length is 2.39 Å. In the fifth Li site, Li(5) is bonded to one O(10), one O(3), one O(4), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(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 Mn(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-17°. The Li(5)-O(10) bond length is 2.12 Å. The Li(5)-O(3) bond length is 2.44 Å. The Li(5)-O(4) bond length is 2.15 Å. The Li(5)-O(6) bond length is 2.13 Å. The Li(5)-O(8) bond length is 2.20 Å. The Li(5)-O(9) bond length is 2.16 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(7), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-15°. The Ti(1)-O(1) bond length is 1.94 Å. The Ti(1)-O(2) bond length is 2.09 Å. The Ti(1)-O(3) bond length is 2.13 Å. The Ti(1)-O(5) bond length is 1.87 Å. The Ti(1)-O(7) bond length is 2.13 Å. The Ti(1)-O(9) bond length is 1.89 Å. In the second Ti site, Ti(2) is bonded to one O(10), one O(2), one O(4), one O(6), one O(8), and one O(9) atom to form TiO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)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 Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. The Ti(2)-O(10) bond length is 1.94 Å. The Ti(2)-O(2) bond length is 1.88 Å. The Ti(2)-O(4) bond length is 2.12 Å. The Ti(2)-O(6) bond length is 1.88 Å. The Ti(2)-O(8) bond length is 2.14 Å. The Ti(2)-O(9) bond length is 2.08 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Ti(1)O6 octahedra,  a cornercorner with one Ti(2)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)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, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-8°. The Mn(1)-O(1) bond length is 2.37 Å. The Mn(1)-O(10) bond length is 2.36 Å. The Mn(1)-O(3) bond length is 1.99 Å. The Mn(1)-O(4) bond length is 1.98 Å. The Mn(1)-O(7) bond length is 1.98 Å. The Mn(1)-O(8) bond length is 1.99 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(3), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-12°. The Mn(2)-O(1) bond length is 2.17 Å. The Mn(2)-O(10) bond length is 2.22 Å. The Mn(2)-O(3) bond length is 2.16 Å. The Mn(2)-O(5) bond length is 2.14 Å. The Mn(2)-O(7) bond length is 2.18 Å. The Mn(2)-O(8) bond length is 2.24 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(10), one O(3), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(5)O6 octahedra,  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(4)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 Ti(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-13°. The Mn(3)-O(1) bond length is 2.23 Å. The Mn(3)-O(10) bond length is 2.17 Å. The Mn(3)-O(3) bond length is 2.24 Å. The Mn(3)-O(4) bond length is 2.17 Å. The Mn(3)-O(6) bond length is 2.14 Å. The Mn(3)-O(8) bond length is 2.15 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(2), one Li(4), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra, corners with two equivalent O(6)Li4TiMn octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, and edges with two equivalent O(5)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the second O site, O(2) 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)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(8)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, edges with two equivalent O(9)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiMn octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Ti(1), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(9)Li4Ti2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, and edges with two equivalent O(7)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(5), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(7)Li3TiMn2 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(9)Li4Ti2 octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the fifth O site, O(5) is bonded to one Li(1), one Li(2), one Li(3), one Li(4), one Ti(1), and one Mn(2) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(10)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(7)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(9)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the sixth O site, O(6) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ti(2), and one Mn(3) atom to form OLi4TiMn octahedra that share  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(1)Li2TiMn3 octahedra,  an edgeedge with one O(3)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(9)Li4Ti2 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the seventh O site, O(7) is bonded to one Li(2), one Li(3), one Li(4), one Ti(1), one Mn(1), and one Mn(2) atom to form OLi3TiMn2 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra,  a cornercorner with one O(5)Li4TiMn octahedra, corners with two equivalent O(4)Li3TiMn2 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, and edges with two equivalent O(5)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the eighth O site, O(8) is bonded to one Li(2), one Li(5), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(3)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(2)Li4Ti2 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra,  an edgeedge with one O(5)Li4TiMn octahedra,  an edgeedge with one O(6)Li4TiMn octahedra, edges with two equivalent O(1)Li2TiMn3 octahedra, edges with two equivalent O(10)Li2TiMn3 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(4), one Li(5), one Ti(1), and one Ti(2) atom to form OLi4Ti2 octahedra that share  a cornercorner with one O(10)Li2TiMn3 octahedra,  a cornercorner with one O(7)Li3TiMn2 octahedra,  a cornercorner with one O(2)Li4Ti2 octahedra,  a cornercorner with one O(6)Li4TiMn octahedra, corners with two equivalent O(3)Li2TiMn3 octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(10)Li2TiMn3 octahedra,  an edgeedge with one O(8)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, edges with two equivalent O(2)Li4Ti2 octahedra, edges with two equivalent O(5)Li4TiMn octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the tenth O site, O(10) is bonded to one Li(1), one Li(5), one Ti(2), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi2TiMn3 octahedra that share  a cornercorner with one O(1)Li2TiMn3 octahedra,  a cornercorner with one O(8)Li2TiMn3 octahedra,  a cornercorner with one O(4)Li3TiMn2 octahedra,  a cornercorner with one O(9)Li4Ti2 octahedra, corners with two equivalent O(5)Li4TiMn octahedra,  an edgeedge with one O(1)Li2TiMn3 octahedra,  an edgeedge with one O(7)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li4Ti2 octahedra,  an edgeedge with one O(9)Li4Ti2 octahedra, edges with two equivalent O(3)Li2TiMn3 octahedra, edges with two equivalent O(8)Li2TiMn3 octahedra, edges with two equivalent O(4)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li4TiMn octahedra. The corner-sharing octahedral tilt angles range from 0-12°.