The structure described by Li3TiMn2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)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,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)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,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(7), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-85°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(7), and one O(8) atom to form LiO5 square pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-89°. In the fifth Li site, Li(5) is bonded to one O(11), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-85°. In the sixth Li site, Li(6) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 square pyramids that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-89°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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 Mn(4)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(2), one O(6), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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 Mn(2)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Ti(1), one Mn(1), and one Mn(3) atom to form distorted OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2TiMn2 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(2)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 2-83°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(1)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 1-81°. In the third O site, O(3) is bonded to one Li(5), one Li(6), one Ti(2), one Mn(2), and one Mn(4) atom to form distorted OLi2TiMn2 square pyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(4)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 2-83°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Ti(1), one Mn(2), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(3)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 1-81°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(12)Li3Ti2Mn octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(2)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(4)Li2TiMn2 square pyramids,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(11)Li3Ti2Mn octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(2)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(4)Li2TiMn2 square pyramids,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(10)Li3Ti2Mn octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  a cornercorner with one O(4)Li2TiMn2 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(2)Li2TiMn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid, and  an edgeedge with one O(2)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra,  a cornercorner with one O(9)Li3Ti2Mn octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  a cornercorner with one O(4)Li2TiMn2 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(2)Li2TiMn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid, and  an edgeedge with one O(2)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Mn(2) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(11)Li3Ti2Mn octahedra, corners with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra, edges with two equivalent O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one Mn(4) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(11)Li3Ti2Mn octahedra, corners with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra, edges with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Ti(2), and one Mn(3) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(10)Li3Ti2Mn octahedra, corners with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), one Ti(2), and one Mn(1) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(10)Li3Ti2Mn octahedra, corners with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li3TiMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   5.890
_cell_length_c   7.163
_cell_angle_alpha   78.319
_cell_angle_beta   78.279
_cell_angle_gamma   89.632
_symmetry_Int_Tables_number   1
_cell_volume   119.559
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.334  0.167  0.332  1.0
  Li  Li1  1  0.986  0.487  0.025  1.0
  Li  Li2  1  0.680  0.847  0.642  1.0
  Mn  Mn3  1  0.998  0.006  0.994  1.0
  Mn  Mn4  1  0.669  0.328  0.673  1.0
  O  O5  1  0.474  0.752  0.044  1.0
  O  O6  1  0.192  0.581  0.623  1.0
  O  O7  1  0.172  0.091  0.668  1.0
  O  O8  1  0.494  0.242  1.000  1.0
  O  O9  1  0.839  0.441  0.326  1.0
  O  O10  1  0.827  0.893  0.340  1.0
  Ti  Ti11  1  0.333  0.667  0.334  1.0
[/CIF]
.
The structure described by Li3TiMn2O6 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(10), one O(11), one O(12), one O(5), one O(7), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)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,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the second Li site, Li(2) is bonded to one O(10), one O(11), one O(12), one O(6), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Ti(1)O6 octahedra, corners with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Ti(1)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,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Li(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the third Li site, Li(3) is bonded to one O(1), one O(2), one O(7), one O(8), and one O(9) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(4)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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, and edges with two equivalent Li(4)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-85°. In the fourth Li site, Li(4) is bonded to one O(1), one O(10), one O(2), one O(7), and one O(8) atom to form LiO5 square pyramids that share  a cornercorner with one Mn(2)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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, and edges with two equivalent Li(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-89°. In the fifth Li site, Li(5) is bonded to one O(11), one O(3), one O(4), one O(5), and one O(6) atom to form distorted LiO5 square pyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-85°. In the sixth Li site, Li(6) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(6) atom to form LiO5 square pyramids that share  a cornercorner with one Mn(3)O6 octahedra, corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Li(5)O5 square pyramids. The corner-sharing octahedral tilt angles range from 5-89°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(4), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(2)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. In the second Ti site, Ti(2) is bonded to one O(10), one O(11), one O(12), one O(2), one O(3), and one O(9) atom to form TiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(3)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Ti(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid,  an edgeedge with one Li(4)O5 square pyramid,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles range from 4-7°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(2), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(5)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(3)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. In the second Mn site, Mn(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(8), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(4)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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 Mn(4)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the third Mn site, Mn(3) is bonded to one O(1), one O(11), one O(2), one O(6), one O(7), and one O(8) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra,  a cornercorner with one Li(6)O5 square pyramid, corners with two equivalent Li(3)O5 square pyramids, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(1)O6 octahedra,  an edgeedge with one Ti(2)O6 octahedra,  an edgeedge with one Mn(2)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra,  an edgeedge with one Li(3)O5 square pyramid, and  an edgeedge with one Li(4)O5 square pyramid. The corner-sharing octahedral tilt angles are 6°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O6 octahedra,  a cornercorner with one Li(3)O5 square pyramid, corners with two equivalent Li(4)O5 square pyramids, corners with two equivalent Li(5)O5 square pyramids, corners with two equivalent Li(6)O5 square pyramids,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Ti(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 Mn(2)O6 octahedra,  an edgeedge with one Li(5)O5 square pyramid, and  an edgeedge with one Li(6)O5 square pyramid. The corner-sharing octahedral tilt angles are 3°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Li(4), one Ti(1), one Mn(1), and one Mn(3) atom to form distorted OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2TiMn2 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(2)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 2-83°. In the second O site, O(2) is bonded to one Li(3), one Li(4), one Ti(2), one Mn(1), and one Mn(3) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(7)Li3Mn3 octahedra, corners with two equivalent O(8)Li3Mn3 octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(1)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 1-81°. In the third O site, O(3) is bonded to one Li(5), one Li(6), one Ti(2), one Mn(2), and one Mn(4) atom to form distorted OLi2TiMn2 square pyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(4)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 2-83°. In the fourth O site, O(4) is bonded to one Li(5), one Li(6), one Ti(1), one Mn(2), and one Mn(4) atom to form OLi2TiMn2 square pyramids that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(5)Li3Mn3 octahedra, corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, and edges with two equivalent O(3)Li2TiMn2 square pyramids. The corner-sharing octahedral tilt angles range from 1-81°. In the fifth O site, O(5) is bonded to one Li(1), one Li(5), one Li(6), one Mn(1), one Mn(2), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra,  a cornercorner with one O(12)Li3Ti2Mn octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(2)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(4)Li2TiMn2 square pyramids,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(2), one Li(5), one Li(6), one Mn(2), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra,  a cornercorner with one O(11)Li3Ti2Mn octahedra,  a cornercorner with one O(1)Li2TiMn2 square pyramid,  a cornercorner with one O(2)Li2TiMn2 square pyramid, corners with two equivalent O(3)Li2TiMn2 square pyramids, corners with two equivalent O(4)Li2TiMn2 square pyramids,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(5)Li3Mn3 octahedra,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh O site, O(7) is bonded to one Li(1), one Li(3), one Li(4), one Mn(1), one Mn(3), and one Mn(4) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(5)Li3Mn3 octahedra,  a cornercorner with one O(10)Li3Ti2Mn octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  a cornercorner with one O(4)Li2TiMn2 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(2)Li2TiMn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(8)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid, and  an edgeedge with one O(2)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the eighth O site, O(8) is bonded to one Li(2), one Li(3), one Li(4), one Mn(1), one Mn(2), and one Mn(3) atom to form OLi3Mn3 octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra,  a cornercorner with one O(9)Li3Ti2Mn octahedra,  a cornercorner with one O(3)Li2TiMn2 square pyramid,  a cornercorner with one O(4)Li2TiMn2 square pyramid, corners with two equivalent O(1)Li2TiMn2 square pyramids, corners with two equivalent O(2)Li2TiMn2 square pyramids,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(7)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid, and  an edgeedge with one O(2)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the ninth O site, O(9) is bonded to one Li(1), one Li(2), one Li(3), one Ti(1), one Ti(2), and one Mn(2) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(8)Li3Mn3 octahedra, corners with two equivalent O(11)Li3Ti2Mn octahedra, corners with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra, edges with two equivalent O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the tenth O site, O(10) is bonded to one Li(1), one Li(2), one Li(4), one Ti(1), one Ti(2), and one Mn(4) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(7)Li3Mn3 octahedra, corners with two equivalent O(11)Li3Ti2Mn octahedra, corners with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(12)Li3Ti2Mn octahedra, edges with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the eleventh O site, O(11) is bonded to one Li(1), one Li(2), one Li(5), one Ti(1), one Ti(2), and one Mn(3) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(6)Li3Mn3 octahedra, corners with two equivalent O(10)Li3Ti2Mn octahedra, corners with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(12)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the twelfth O site, O(12) is bonded to one Li(1), one Li(2), one Li(6), one Ti(1), one Ti(2), and one Mn(1) atom to form OLi3Ti2Mn octahedra that share  a cornercorner with one O(5)Li3Mn3 octahedra, corners with two equivalent O(10)Li3Ti2Mn octahedra, corners with two equivalent O(9)Li3Ti2Mn octahedra,  an edgeedge with one O(5)Li3Mn3 octahedra,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(7)Li3Mn3 octahedra,  an edgeedge with one O(8)Li3Mn3 octahedra,  an edgeedge with one O(10)Li3Ti2Mn octahedra,  an edgeedge with one O(9)Li3Ti2Mn octahedra, edges with two equivalent O(11)Li3Ti2Mn octahedra,  an edgeedge with one O(1)Li2TiMn2 square pyramid,  an edgeedge with one O(2)Li2TiMn2 square pyramid,  an edgeedge with one O(3)Li2TiMn2 square pyramid, and  an edgeedge with one O(4)Li2TiMn2 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. is represented by the CIF card [CIF]
data_Li3TiMn2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.958
_cell_length_b   5.890
_cell_length_c   7.163
_cell_angle_alpha   78.319
_cell_angle_beta   78.279
_cell_angle_gamma   89.632
_symmetry_Int_Tables_number   1
_cell_volume   119.559
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.334  0.167  0.332  1.0
  Li  Li1  1  0.986  0.487  0.025  1.0
  Li  Li2  1  0.680  0.847  0.642  1.0
  Mn  Mn3  1  0.998  0.006  0.994  1.0
  Mn  Mn4  1  0.669  0.328  0.673  1.0
  O  O5  1  0.474  0.752  0.044  1.0
  O  O6  1  0.192  0.581  0.623  1.0
  O  O7  1  0.172  0.091  0.668  1.0
  O  O8  1  0.494  0.242  1.000  1.0
  O  O9  1  0.839  0.441  0.326  1.0
  O  O10  1  0.827  0.893  0.340  1.0
  Ti  Ti11  1  0.333  0.667  0.334  1.0
[/CIF]
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