The material structure described by Li4TiMn3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(2), one O(21), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(13), one O(17), one O(18), one O(22), one O(24), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(7)O6 octahedra, corners with three equivalent Mn(8)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 Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(17), one O(2), one O(21), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(21), one O(22), one O(24), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)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 Li(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(14), one O(15), one O(18), one O(22), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(18), one O(19), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh Li site, Li(7) is bonded to one O(12), one O(20), one O(23), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the eighth Li site, Li(8) is bonded to one O(10), one O(15), one O(19), one O(20), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(15), one O(19), one O(23), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), one O(20), one O(23), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the eleventh Li site, Li(11) is bonded to one O(11), one O(12), one O(16), one O(2), one O(3), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the twelfth Li site, Li(12) is bonded to one O(11), one O(16), one O(3), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(15), one O(20), one O(23), and one O(4) atom to form TiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the third Ti site, Ti(3) is bonded to one O(13), one O(14), one O(17), one O(18), one O(21), and one O(22) atom to form TiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(20), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Mn site, Mn(3) is bonded to one O(1), one O(14), one O(15), one O(19), one O(22), and one O(24) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(23), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(16), one O(2), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(17), one O(18), one O(21), one O(24), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(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 7-9°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the eighth Mn site, Mn(8) is bonded to one O(15), one O(18), one O(19), one O(22), one O(24), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(19), one O(20), one O(23), one O(4), and one O(5) atom to form MnO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), one Li(6), one Li(9), one Ti(2), one Mn(3), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(14)Li3TiMn2 octahedra, corners with three equivalent O(23)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(15)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to one Li(1), one Li(11), one Li(3), one Ti(1), one Mn(2), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(12)Li3TiMn2 octahedra, corners with three equivalent O(21)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(10), one Li(11), one Li(12), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(10)Li3TiMn2 octahedra, corners with three equivalent O(11)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Li(8), one Ti(2), one Mn(8), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(18)Li3TiMn2 octahedra, corners with three equivalent O(20)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, and edges with two equivalent O(15)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(7), one Li(8), one Li(9), one Mn(1), one Mn(4), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, edges with two equivalent O(20)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(10), one Li(12), one Li(7), one Ti(1), one Mn(1), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(20)Li3TiMn2 octahedra, corners with three equivalent O(8)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and edges with two equivalent O(3)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(11), one Li(12), one Li(7), one Mn(1), one Mn(4), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(1), one Li(12), one Li(3), one Ti(1), one Mn(5), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(17)Li3TiMn2 octahedra, corners with three equivalent O(6)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, and edges with two equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(6), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, edges with two equivalent O(17)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(10), one Li(8), one Li(9), one Ti(2), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(15)Li3TiMn2 octahedra, corners with three equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(20)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(11), one Li(12), one Li(3), one Ti(1), one Mn(2), and one Mn(7) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(13)Li3TiMn2 octahedra, corners with three equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(2)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(11), one Li(7), one Ti(1), one Mn(4), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(2)Li3TiMn2 octahedra, corners with three equivalent O(23)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Li(4), one Ti(3), one Mn(2), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(11)Li3TiMn2 octahedra, corners with three equivalent O(22)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(17)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Li(6), one Ti(3), one Mn(3), and one Mn(6) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(21)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(18)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(8), one Li(9), one Ti(2), one Mn(3), and one Mn(8) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(10)Li3TiMn2 octahedra, corners with three equivalent O(22)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(11), one Li(12), one Mn(2), one Mn(5), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, edges with two equivalent O(2)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(2), one Li(3), one Ti(3), one Mn(6), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(18)Li3TiMn2 octahedra, corners with three equivalent O(8)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(5), one Li(6), one Ti(3), one Mn(6), and one Mn(8) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(17)Li3TiMn2 octahedra, corners with three equivalent O(4)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(8), one Li(9), one Mn(3), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(24)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, edges with two equivalent O(15)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(7), one Li(8), one Ti(2), one Mn(1), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(4)Li3TiMn2 octahedra, corners with three equivalent O(6)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(3), one Li(4), one Ti(3), one Mn(2), and one Mn(6) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(14)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, and edges with two equivalent O(17)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(4), one Li(5), one Ti(3), one Mn(3), and one Mn(8) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(13)Li3TiMn2 octahedra, corners with three equivalent O(15)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, and edges with two equivalent O(18)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(7), one Li(9), one Ti(2), one Mn(4), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(12)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, and edges with two equivalent O(20)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(4), one Li(6), one Mn(3), one Mn(6), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, edges with two equivalent O(18)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Li4TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   6.079
_cell_length_c   14.820
_cell_angle_alpha   87.835
_cell_angle_beta   88.179
_cell_angle_gamma   60.844
_symmetry_Int_Tables_number   1
_cell_volume   468.613
_cell_formula_units_Z   3
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  0.994  0.494  0.497  1.0
  Li  Li1  1  0.832  0.815  0.331  1.0
  Li  Li2  1  0.997  1.000  0.498  1.0
  Li  Li3  1  0.831  0.332  0.333  1.0
  Li  Li4  1  0.666  0.664  0.167  1.0
  Li  Li5  1  0.675  0.169  0.171  1.0
  Li  Li6  1  0.334  0.833  0.833  1.0
  Li  Li7  1  0.501  0.504  0.996  1.0
  Li  Li8  1  0.498  0.005  0.000  1.0
  Li  Li9  1  0.333  0.336  0.834  1.0
  Li  Li10  1  0.172  0.661  0.667  1.0
  Li  Li11  1  0.169  0.163  0.671  1.0
  Ti  Ti12  1  0.686  0.653  0.665  1.0
  Ti  Ti13  1  0.985  0.010  0.001  1.0
  Ti  Ti14  1  0.331  0.335  0.334  1.0
  Mn  Mn15  1  0.833  0.833  0.833  1.0
  Mn  Mn16  1  0.497  0.997  0.501  1.0
  Mn  Mn17  1  0.168  0.670  0.165  1.0
  Mn  Mn18  1  0.834  0.333  0.833  1.0
  Mn  Mn19  1  0.681  0.155  0.666  1.0
  Mn  Mn20  1  0.329  0.836  0.333  1.0
  Mn  Mn21  1  0.499  0.495  0.501  1.0
  Mn  Mn22  1  0.165  0.174  0.166  1.0
  Mn  Mn23  1  0.988  0.509  0.000  1.0
  O  O24  1  0.825  0.873  0.080  1.0
  O  O25  1  0.843  0.792  0.586  1.0
  O  O26  1  0.983  0.491  0.749  1.0
  O  O27  1  0.835  0.335  0.073  1.0
  O  O28  1  0.687  0.663  0.924  1.0
  O  O29  1  0.522  0.973  0.734  1.0
  O  O30  1  0.982  0.001  0.743  1.0
  O  O31  1  0.834  0.330  0.594  1.0
  O  O32  1  0.625  0.674  0.415  1.0
  O  O33  1  0.686  0.174  0.918  1.0
  O  O34  1  0.374  0.776  0.585  1.0
  O  O35  1  0.528  0.499  0.756  1.0
  O  O36  1  0.633  0.208  0.418  1.0
  O  O37  1  0.496  0.477  0.252  1.0
  O  O38  1  0.296  0.888  0.081  1.0
  O  O39  1  0.379  0.316  0.587  1.0
  O  O40  1  0.166  0.662  0.402  1.0
  O  O41  1  0.494  0.009  0.265  1.0
  O  O42  1  0.288  0.349  0.080  1.0
  O  O43  1  0.148  0.691  0.932  1.0
  O  O44  1  0.167  0.191  0.414  1.0
  O  O45  1  0.025  0.467  0.250  1.0
  O  O46  1  0.142  0.166  0.910  1.0
  O  O47  1  0.036  0.997  0.250  1.0
[/CIF]
.
The material structure described by Li4TiMn3O8 is Caswellsilverite-derived structured and crystallizes in the triclinic P1 space group. There are twelve inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(16), one O(17), one O(2), one O(21), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(6)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the second Li site, Li(2) is bonded to one O(13), one O(17), one O(18), one O(22), one O(24), and one O(9) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(7)O6 octahedra, corners with three equivalent Mn(8)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 Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-12°. In the third Li site, Li(3) is bonded to one O(11), one O(13), one O(17), one O(2), one O(21), and one O(8) atom to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(21), one O(22), one O(24), and one O(9) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(3)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 Li(6)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Ti(3)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-13°. In the fifth Li site, Li(5) is bonded to one O(1), one O(14), one O(15), one O(18), one O(22), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Ti(2)O6 octahedra, corners with three equivalent Ti(3)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-12°. In the sixth Li site, Li(6) is bonded to one O(1), one O(14), one O(18), one O(19), one O(24), and one O(4) atom to form LiO6 octahedra that share corners with three equivalent Mn(6)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-9°. In the seventh Li site, Li(7) is bonded to one O(12), one O(20), one O(23), one O(5), one O(6), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(5)O6 octahedra, corners with three equivalent Mn(9)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the eighth Li site, Li(8) is bonded to one O(10), one O(15), one O(19), one O(20), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(8)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-15°. In the ninth Li site, Li(9) is bonded to one O(1), one O(10), one O(15), one O(19), one O(23), and one O(5) atom to form LiO6 octahedra that share corners with three equivalent Mn(3)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the tenth Li site, Li(10) is bonded to one O(10), one O(12), one O(20), one O(23), one O(3), and one O(6) atom to form LiO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-9°. In the eleventh Li site, Li(11) is bonded to one O(11), one O(12), one O(16), one O(2), one O(3), and one O(7) atom to form LiO6 octahedra that share corners with three equivalent Mn(2)O6 octahedra, corners with three equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-15°. In the twelfth Li site, Li(12) is bonded to one O(11), one O(16), one O(3), one O(6), one O(7), and one O(8) atom to form distorted LiO6 octahedra that share corners with three equivalent Mn(1)O6 octahedra, corners with three equivalent Mn(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-16°. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(11), one O(12), one O(2), one O(3), one O(6), and one O(8) atom to form TiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Mn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-11°. In the second Ti site, Ti(2) is bonded to one O(1), one O(10), one O(15), one O(20), one O(23), and one O(4) atom to form TiO6 octahedra that share corners with three equivalent Li(10)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Mn(9)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the third Ti site, Ti(3) is bonded to one O(13), one O(14), one O(17), one O(18), one O(21), and one O(22) atom to form TiO6 octahedra that share corners with three equivalent Li(3)O6 octahedra, corners with three equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mn(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. There are nine inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(20), one O(3), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-16°. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(16), one O(2), one O(21), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O6 octahedra, corners with three equivalent Li(4)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-15°. In the third Mn site, Mn(3) is bonded to one O(1), one O(14), one O(15), one O(19), one O(22), and one O(24) atom to form MnO6 octahedra that share corners with three equivalent Li(4)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(8)O6 octahedra. The corner-sharing octahedral tilt angles range from 8-15°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(12), one O(23), one O(3), one O(5), and one O(7) atom to form MnO6 octahedra that share corners with three equivalent Li(11)O6 octahedra, corners with three equivalent Li(9)O6 octahedra,  an edgeedge with one Li(12)O6 octahedra,  an edgeedge with one Li(8)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(10)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-8°. In the fifth Mn site, Mn(5) is bonded to one O(12), one O(16), one O(2), one O(6), one O(7), and one O(8) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(7)O6 octahedra, edges with two equivalent Li(11)O6 octahedra, edges with two equivalent Li(12)O6 octahedra, and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. In the sixth Mn site, Mn(6) is bonded to one O(14), one O(17), one O(18), one O(21), one O(24), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(1)O6 octahedra, corners with three equivalent Li(6)O6 octahedra,  an edgeedge with one Li(3)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,  an edgeedge with one Mn(7)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(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 7-9°. In the seventh Mn site, Mn(7) is bonded to one O(11), one O(13), one O(16), one O(17), one O(8), and one O(9) atom to form MnO6 octahedra that share corners with three equivalent Li(12)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Li(11)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(5)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the eighth Mn site, Mn(8) is bonded to one O(15), one O(18), one O(19), one O(22), one O(24), and one O(4) atom to form MnO6 octahedra that share corners with three equivalent Li(2)O6 octahedra, corners with three equivalent Li(8)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(9)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Ti(3)O6 octahedra,  an edgeedge with one Mn(6)O6 octahedra,  an edgeedge with one Mn(9)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(6)O6 octahedra, and edges with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-12°. In the ninth Mn site, Mn(9) is bonded to one O(1), one O(19), one O(20), one O(23), one O(4), and one O(5) atom to form MnO6 octahedra that share corners with three equivalent Li(6)O6 octahedra, corners with three equivalent Li(7)O6 octahedra,  an edgeedge with one Li(10)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra,  an edgeedge with one Mn(8)O6 octahedra, edges with two equivalent Li(8)O6 octahedra, edges with two equivalent Li(9)O6 octahedra, and edges with two equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-13°. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded to one Li(5), one Li(6), one Li(9), one Ti(2), one Mn(3), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(14)Li3TiMn2 octahedra, corners with three equivalent O(23)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(15)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-5°. In the second O site, O(2) is bonded to one Li(1), one Li(11), one Li(3), one Ti(1), one Mn(2), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(12)Li3TiMn2 octahedra, corners with three equivalent O(21)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 2-4°. In the third O site, O(3) is bonded to one Li(10), one Li(11), one Li(12), one Ti(1), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(10)Li3TiMn2 octahedra, corners with three equivalent O(11)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Li(8), one Ti(2), one Mn(8), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(18)Li3TiMn2 octahedra, corners with three equivalent O(20)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, and edges with two equivalent O(15)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. In the fifth O site, O(5) is bonded to one Li(7), one Li(8), one Li(9), one Mn(1), one Mn(4), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, edges with two equivalent O(20)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth O site, O(6) is bonded to one Li(10), one Li(12), one Li(7), one Ti(1), one Mn(1), and one Mn(5) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(20)Li3TiMn2 octahedra, corners with three equivalent O(8)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, and edges with two equivalent O(3)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the seventh O site, O(7) is bonded to one Li(11), one Li(12), one Li(7), one Mn(1), one Mn(4), and one Mn(5) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(12)Li3TiMn2 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(1), one Li(12), one Li(3), one Ti(1), one Mn(5), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(17)Li3TiMn2 octahedra, corners with three equivalent O(6)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, and edges with two equivalent O(2)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-7°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(4), one Mn(2), one Mn(6), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(16)Li3Mn3 octahedra, corners with three equivalent O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, edges with two equivalent O(17)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the tenth O site, O(10) is bonded to one Li(10), one Li(8), one Li(9), one Ti(2), one Mn(1), and one Mn(4) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(15)Li3TiMn2 octahedra, corners with three equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(20)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the eleventh O site, O(11) is bonded to one Li(11), one Li(12), one Li(3), one Ti(1), one Mn(2), and one Mn(7) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(13)Li3TiMn2 octahedra, corners with three equivalent O(3)Li3TiMn2 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(16)Li3Mn3 octahedra, edges with two equivalent O(2)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the twelfth O site, O(12) is bonded to one Li(10), one Li(11), one Li(7), one Ti(1), one Mn(4), and one Mn(5) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(2)Li3TiMn2 octahedra, corners with three equivalent O(23)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(7)Li3Mn3 octahedra, edges with two equivalent O(3)Li3TiMn2 octahedra, and edges with two equivalent O(6)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the thirteenth O site, O(13) is bonded to one Li(2), one Li(3), one Li(4), one Ti(3), one Mn(2), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(11)Li3TiMn2 octahedra, corners with three equivalent O(22)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(17)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the fourteenth O site, O(14) is bonded to one Li(4), one Li(5), one Li(6), one Ti(3), one Mn(3), and one Mn(6) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(21)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(18)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the fifteenth O site, O(15) is bonded to one Li(5), one Li(8), one Li(9), one Ti(2), one Mn(3), and one Mn(8) atom to form distorted OLi3TiMn2 octahedra that share corners with three equivalent O(10)Li3TiMn2 octahedra, corners with three equivalent O(22)Li3TiMn2 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(19)Li3Mn3 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-8°. In the sixteenth O site, O(16) is bonded to one Li(1), one Li(11), one Li(12), one Mn(2), one Mn(5), and one Mn(7) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(7)Li3Mn3 octahedra, corners with three equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(11)Li3TiMn2 octahedra, edges with two equivalent O(2)Li3TiMn2 octahedra, and edges with two equivalent O(8)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-4°. In the seventeenth O site, O(17) is bonded to one Li(1), one Li(2), one Li(3), one Ti(3), one Mn(6), and one Mn(7) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(18)Li3TiMn2 octahedra, corners with three equivalent O(8)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(2)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, and edges with two equivalent O(21)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the eighteenth O site, O(18) is bonded to one Li(2), one Li(5), one Li(6), one Ti(3), one Mn(6), and one Mn(8) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(17)Li3TiMn2 octahedra, corners with three equivalent O(4)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the nineteenth O site, O(19) is bonded to one Li(6), one Li(8), one Li(9), one Mn(3), one Mn(8), and one Mn(9) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(24)Li3Mn3 octahedra, corners with three equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3TiMn2 octahedra,  an edgeedge with one O(14)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(20)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(23)Li3TiMn2 octahedra, edges with two equivalent O(1)Li3TiMn2 octahedra, edges with two equivalent O(15)Li3TiMn2 octahedra, and edges with two equivalent O(4)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twentieth O site, O(20) is bonded to one Li(10), one Li(7), one Li(8), one Ti(2), one Mn(1), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(4)Li3TiMn2 octahedra, corners with three equivalent O(6)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(12)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, and edges with two equivalent O(23)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the twenty-first O site, O(21) is bonded to one Li(1), one Li(3), one Li(4), one Ti(3), one Mn(2), and one Mn(6) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(14)Li3TiMn2 octahedra, corners with three equivalent O(2)Li3TiMn2 octahedra,  an edgeedge with one O(16)Li3Mn3 octahedra,  an edgeedge with one O(24)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3TiMn2 octahedra,  an edgeedge with one O(18)Li3TiMn2 octahedra,  an edgeedge with one O(22)Li3TiMn2 octahedra,  an edgeedge with one O(8)Li3TiMn2 octahedra, edges with two equivalent O(9)Li3Mn3 octahedra, edges with two equivalent O(13)Li3TiMn2 octahedra, and edges with two equivalent O(17)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twenty-second O site, O(22) is bonded to one Li(2), one Li(4), one Li(5), one Ti(3), one Mn(3), and one Mn(8) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(13)Li3TiMn2 octahedra, corners with three equivalent O(15)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(24)Li3Mn3 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, and edges with two equivalent O(18)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-3°. In the twenty-third O site, O(23) is bonded to one Li(10), one Li(7), one Li(9), one Ti(2), one Mn(4), and one Mn(9) atom to form OLi3TiMn2 octahedra that share corners with three equivalent O(1)Li3TiMn2 octahedra, corners with three equivalent O(12)Li3TiMn2 octahedra,  an edgeedge with one O(19)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(3)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra,  an edgeedge with one O(6)Li3TiMn2 octahedra, edges with two equivalent O(5)Li3Mn3 octahedra, edges with two equivalent O(10)Li3TiMn2 octahedra, and edges with two equivalent O(20)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the twenty-fourth O site, O(24) is bonded to one Li(2), one Li(4), one Li(6), one Mn(3), one Mn(6), and one Mn(8) atom to form OLi3Mn3 octahedra that share corners with three equivalent O(19)Li3Mn3 octahedra, corners with three equivalent O(9)Li3Mn3 octahedra,  an edgeedge with one O(1)Li3TiMn2 octahedra,  an edgeedge with one O(13)Li3TiMn2 octahedra,  an edgeedge with one O(15)Li3TiMn2 octahedra,  an edgeedge with one O(17)Li3TiMn2 octahedra,  an edgeedge with one O(21)Li3TiMn2 octahedra,  an edgeedge with one O(4)Li3TiMn2 octahedra, edges with two equivalent O(14)Li3TiMn2 octahedra, edges with two equivalent O(18)Li3TiMn2 octahedra, and edges with two equivalent O(22)Li3TiMn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. is represented by the CIF card [CIF]
data_Li4TiMn3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.961
_cell_length_b   6.079
_cell_length_c   14.820
_cell_angle_alpha   87.835
_cell_angle_beta   88.179
_cell_angle_gamma   60.844
_symmetry_Int_Tables_number   1
_cell_volume   468.613
_cell_formula_units_Z   3
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  0.994  0.494  0.497  1.0
  Li  Li1  1  0.832  0.815  0.331  1.0
  Li  Li2  1  0.997  1.000  0.498  1.0
  Li  Li3  1  0.831  0.332  0.333  1.0
  Li  Li4  1  0.666  0.664  0.167  1.0
  Li  Li5  1  0.675  0.169  0.171  1.0
  Li  Li6  1  0.334  0.833  0.833  1.0
  Li  Li7  1  0.501  0.504  0.996  1.0
  Li  Li8  1  0.498  0.005  0.000  1.0
  Li  Li9  1  0.333  0.336  0.834  1.0
  Li  Li10  1  0.172  0.661  0.667  1.0
  Li  Li11  1  0.169  0.163  0.671  1.0
  Ti  Ti12  1  0.686  0.653  0.665  1.0
  Ti  Ti13  1  0.985  0.010  0.001  1.0
  Ti  Ti14  1  0.331  0.335  0.334  1.0
  Mn  Mn15  1  0.833  0.833  0.833  1.0
  Mn  Mn16  1  0.497  0.997  0.501  1.0
  Mn  Mn17  1  0.168  0.670  0.165  1.0
  Mn  Mn18  1  0.834  0.333  0.833  1.0
  Mn  Mn19  1  0.681  0.155  0.666  1.0
  Mn  Mn20  1  0.329  0.836  0.333  1.0
  Mn  Mn21  1  0.499  0.495  0.501  1.0
  Mn  Mn22  1  0.165  0.174  0.166  1.0
  Mn  Mn23  1  0.988  0.509  0.000  1.0
  O  O24  1  0.825  0.873  0.080  1.0
  O  O25  1  0.843  0.792  0.586  1.0
  O  O26  1  0.983  0.491  0.749  1.0
  O  O27  1  0.835  0.335  0.073  1.0
  O  O28  1  0.687  0.663  0.924  1.0
  O  O29  1  0.522  0.973  0.734  1.0
  O  O30  1  0.982  0.001  0.743  1.0
  O  O31  1  0.834  0.330  0.594  1.0
  O  O32  1  0.625  0.674  0.415  1.0
  O  O33  1  0.686  0.174  0.918  1.0
  O  O34  1  0.374  0.776  0.585  1.0
  O  O35  1  0.528  0.499  0.756  1.0
  O  O36  1  0.633  0.208  0.418  1.0
  O  O37  1  0.496  0.477  0.252  1.0
  O  O38  1  0.296  0.888  0.081  1.0
  O  O39  1  0.379  0.316  0.587  1.0
  O  O40  1  0.166  0.662  0.402  1.0
  O  O41  1  0.494  0.009  0.265  1.0
  O  O42  1  0.288  0.349  0.080  1.0
  O  O43  1  0.148  0.691  0.932  1.0
  O  O44  1  0.167  0.191  0.414  1.0
  O  O45  1  0.025  0.467  0.250  1.0
  O  O46  1  0.142  0.166  0.910  1.0
  O  O47  1  0.036  0.997  0.250  1.0
[/CIF]
.