Li4Mn3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(10), one F(11), one F(2), one F(4), and one F(7) atom to form LiF6 octahedra that share corners with two equivalent Mn(2)OF5 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-61°. In the second Li site, Li(2) is bonded to one F(10), one F(4), one F(7), one F(8), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles are 46°. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(5), one F(7), and one F(9) atom. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(5), and one F(6) atom. In the second Mn site, Mn(2) is bonded to one O(1), one F(11), one F(3), one F(4), one F(6), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Li(1)F6 octahedra and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-61°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom. O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mn(3) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom to form a mixture of corner and edge-sharing FLi2Mn2 trigonal pyramids. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one Mn(2) atom. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing FLi3Mn tetrahedra. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(4), and one Mn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one Mn(1) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mn(2) atom.
Li4Mn3OF11 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(1), one F(10), one F(11), one F(2), one F(4), and one F(7) atom to form LiF6 octahedra that share corners with two equivalent Mn(2)OF5 octahedra,  a cornercorner with one Li(2)F5 trigonal bipyramid, and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-61°. The Li(1)-F(1) bond length is 2.13 Å. The Li(1)-F(10) bond length is 1.96 Å. The Li(1)-F(11) bond length is 2.18 Å. The Li(1)-F(2) bond length is 2.05 Å. The Li(1)-F(4) bond length is 2.04 Å. The Li(1)-F(7) bond length is 1.92 Å. In the second Li site, Li(2) is bonded to one F(10), one F(4), one F(7), one F(8), and one F(9) atom to form distorted LiF5 trigonal bipyramids that share  a cornercorner with one Li(1)F6 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(2)OF5 octahedra. The corner-sharing octahedral tilt angles are 46°. The Li(2)-F(10) bond length is 2.14 Å. The Li(2)-F(4) bond length is 2.12 Å. The Li(2)-F(7) bond length is 1.91 Å. The Li(2)-F(8) bond length is 2.01 Å. The Li(2)-F(9) bond length is 2.13 Å. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(5), one F(7), and one F(9) atom. The Li(3)-F(1) bond length is 2.06 Å. The Li(3)-F(3) bond length is 2.32 Å. The Li(3)-F(5) bond length is 1.87 Å. The Li(3)-F(7) bond length is 2.00 Å. The Li(3)-F(9) bond length is 2.13 Å. In the fourth Li site, Li(4) is bonded in a 6-coordinate geometry to one F(10), one F(11), one F(2), one F(5), one F(6), and one F(8) atom. The Li(4)-F(10) bond length is 2.40 Å. The Li(4)-F(11) bond length is 2.14 Å. The Li(4)-F(2) bond length is 1.95 Å. The Li(4)-F(5) bond length is 2.12 Å. The Li(4)-F(6) bond length is 2.34 Å. The Li(4)-F(8) bond length is 2.01 Å. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one F(1), one F(10), one F(3), one F(5), and one F(6) atom. The Mn(1)-O(1) bond length is 1.91 Å. The Mn(1)-F(1) bond length is 1.90 Å. The Mn(1)-F(10) bond length is 1.96 Å. The Mn(1)-F(3) bond length is 2.54 Å. The Mn(1)-F(5) bond length is 2.03 Å. The Mn(1)-F(6) bond length is 2.01 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(11), one F(3), one F(4), one F(6), and one F(9) atom to form distorted MnOF5 octahedra that share corners with two equivalent Li(1)F6 octahedra and  an edgeedge with one Li(2)F5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 39-61°. The Mn(2)-O(1) bond length is 2.04 Å. The Mn(2)-F(11) bond length is 1.90 Å. The Mn(2)-F(3) bond length is 2.10 Å. The Mn(2)-F(4) bond length is 2.17 Å. The Mn(2)-F(6) bond length is 1.95 Å. The Mn(2)-F(9) bond length is 1.88 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(3), one F(4), one F(7), and one F(8) atom. The Mn(3)-O(1) bond length is 1.89 Å. The Mn(3)-F(2) bond length is 1.96 Å. The Mn(3)-F(3) bond length is 1.90 Å. The Mn(3)-F(4) bond length is 2.05 Å. The Mn(3)-F(7) bond length is 2.28 Å. The Mn(3)-F(8) bond length is 2.02 Å. O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are eleven inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Li(1), one Li(3), and one Mn(1) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mn(3) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Li(3), one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded to one Li(1), one Li(2), one Mn(2), and one Mn(3) atom to form a mixture of corner and edge-sharing FLi2Mn2 trigonal pyramids. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Li(4), and one Mn(1) atom. In the sixth F site, F(6) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(1), and one Mn(2) atom. In the seventh F site, F(7) is bonded to one Li(1), one Li(2), one Li(3), and one Mn(3) atom to form a mixture of distorted corner and edge-sharing FLi3Mn tetrahedra. In the eighth F site, F(8) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(4), and one Mn(3) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Li(3), and one Mn(2) atom. In the tenth F site, F(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Li(2), one Li(4), and one Mn(1) atom. In the eleventh F site, F(11) is bonded in a 3-coordinate geometry to one Li(1), one Li(4), and one Mn(2) atom.