Li6Mn5O10 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 69°. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 79°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted OLi2Mn3 square pyramids that share corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids,  an edgeedge with one O(4)Li2Mn3 square pyramid, edges with two equivalent O(3)Li2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 17°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(2), and two equivalent Mn(3) atoms to form distorted OLi2Mn3 trigonal bipyramids that share corners with three equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid, and  an edgeedge with one O(5)Li2Mn3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-63°. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid, and edges with two equivalent O(5)Li2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 trigonal bipyramids that share corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(5)Li2Mn3 trigonal bipyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li2Mn3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-53°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, corners with three equivalent O(3)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 trigonal bipyramid, and edges with two equivalent O(3)Li2Mn3 trigonal bipyramids.
Li6Mn5O10 crystallizes in the monoclinic Cm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(2)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 69°. The Li(1)-O(1) bond length is 1.94 Å. The Li(1)-O(2) bond length is 1.89 Å. The Li(1)-O(3) bond length is 2.02 Å. The Li(1)-O(5) bond length is 2.00 Å. In the second Li site, Li(2) is bonded to one O(2), one O(3), and two equivalent O(6) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with three equivalent Mn(2)O5 trigonal bipyramids, and  an edgeedge with one Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 24°. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(3) bond length is 1.96 Å. Both Li(2)-O(6) bond lengths are 2.02 Å. In the third Li site, Li(3) is bonded in a distorted rectangular see-saw-like geometry to one O(2), one O(4), one O(5), and one O(6) atom. The Li(3)-O(2) bond length is 2.13 Å. The Li(3)-O(4) bond length is 2.02 Å. The Li(3)-O(5) bond length is 1.90 Å. The Li(3)-O(6) bond length is 1.96 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Mn(2)O5 trigonal bipyramids, edges with two equivalent Li(1)O4 tetrahedra, and edges with two equivalent Mn(2)O5 trigonal bipyramids. The Mn(1)-O(1) bond length is 2.29 Å. The Mn(1)-O(4) bond length is 2.24 Å. Both Mn(1)-O(2) bond lengths are 2.15 Å. Both Mn(1)-O(5) bond lengths are 2.23 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(4), one O(5), and one O(6) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Li(1)O4 tetrahedra, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 79°. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 1.96 Å. The Mn(2)-O(4) bond length is 1.98 Å. The Mn(2)-O(5) bond length is 2.27 Å. The Mn(2)-O(6) bond length is 1.97 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(2), one O(5), two equivalent O(3), and two equivalent O(6) atoms. The Mn(3)-O(2) bond length is 1.94 Å. The Mn(3)-O(5) bond length is 1.91 Å. There is one shorter (2.02 Å) and one longer (2.33 Å) Mn(3)-O(3) bond length. There is one shorter (1.98 Å) and one longer (2.52 Å) Mn(3)-O(6) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted OLi2Mn3 square pyramids that share corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids,  an edgeedge with one O(4)Li2Mn3 square pyramid, edges with two equivalent O(3)Li2Mn3 trigonal bipyramids, and edges with two equivalent O(5)Li2Mn3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 17°. In the second O site, O(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), one Mn(1), and one Mn(3) atom. In the third O site, O(3) is bonded to one Li(1), one Li(2), one Mn(2), and two equivalent Mn(3) atoms to form distorted OLi2Mn3 trigonal bipyramids that share corners with three equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(4)Li2Mn3 square pyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid, and  an edgeedge with one O(5)Li2Mn3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 6-63°. In the fourth O site, O(4) is bonded to two equivalent Li(3), one Mn(1), and two equivalent Mn(2) atoms to form OLi2Mn3 square pyramids that share  a cornercorner with one O(1)Li2Mn3 square pyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid, and edges with two equivalent O(5)Li2Mn3 trigonal bipyramids. In the fifth O site, O(5) is bonded to one Li(1), one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom to form distorted OLi2Mn3 trigonal bipyramids that share corners with two equivalent O(6)Li3Mn3 octahedra,  a cornercorner with one O(1)Li2Mn3 square pyramid,  a cornercorner with one O(4)Li2Mn3 square pyramid,  a cornercorner with one O(5)Li2Mn3 trigonal bipyramid, corners with two equivalent O(3)Li2Mn3 trigonal bipyramids,  an edgeedge with one O(6)Li3Mn3 octahedra,  an edgeedge with one O(1)Li2Mn3 square pyramid,  an edgeedge with one O(4)Li2Mn3 square pyramid, and  an edgeedge with one O(3)Li2Mn3 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 3-53°. In the sixth O site, O(6) is bonded to one Li(3), two equivalent Li(2), one Mn(2), and two equivalent Mn(3) atoms to form distorted OLi3Mn3 octahedra that share  a cornercorner with one O(1)Li2Mn3 square pyramid, corners with two equivalent O(5)Li2Mn3 trigonal bipyramids, corners with three equivalent O(3)Li2Mn3 trigonal bipyramids, edges with two equivalent O(6)Li3Mn3 octahedra,  an edgeedge with one O(4)Li2Mn3 square pyramid,  an edgeedge with one O(5)Li2Mn3 trigonal bipyramid, and edges with two equivalent O(3)Li2Mn3 trigonal bipyramids.