LiMn7(OF3)3 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid and  an edgeedge with one Mn(3)OF5 pentagonal pyramid. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(6), and one F(9) atom. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom. In the third Mn site, Mn(3) is bonded to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(5), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(3), one F(4), one F(6), and one F(8) atom. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(4), one F(5), one F(7), and one F(9) atom. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one O(3)Mn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one F(6)LiMn3 tetrahedra,  a cornercorner with one F(5)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(1), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one F(7)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Mn(2), one Mn(6), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(6)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom.
LiMn7(OF3)3 is Ilmenite-derived structured and crystallizes in the triclinic P1 space group. Li(1) is bonded to one F(1), one F(2), one F(3), one F(4), one F(6), and one F(7) atom to form LiF6 octahedra that share  a cornercorner with one Mn(3)OF5 pentagonal pyramid and  an edgeedge with one Mn(3)OF5 pentagonal pyramid. The Li(1)-F(1) bond length is 2.12 Å. The Li(1)-F(2) bond length is 2.05 Å. The Li(1)-F(3) bond length is 2.06 Å. The Li(1)-F(4) bond length is 2.13 Å. The Li(1)-F(6) bond length is 2.09 Å. The Li(1)-F(7) bond length is 2.09 Å. There are seven inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one F(1), one F(2), one F(6), and one F(9) atom. The Mn(1)-O(1) bond length is 2.07 Å. The Mn(1)-O(2) bond length is 2.08 Å. The Mn(1)-F(1) bond length is 2.43 Å. The Mn(1)-F(2) bond length is 2.31 Å. The Mn(1)-F(6) bond length is 2.21 Å. The Mn(1)-F(9) bond length is 2.46 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one F(1), one F(3), one F(5), and one F(7) atom. The Mn(2)-O(1) bond length is 2.08 Å. The Mn(2)-O(3) bond length is 2.04 Å. The Mn(2)-F(1) bond length is 2.25 Å. The Mn(2)-F(3) bond length is 2.49 Å. The Mn(2)-F(5) bond length is 2.58 Å. The Mn(2)-F(7) bond length is 2.20 Å. In the third Mn site, Mn(3) is bonded to one O(2), one F(2), one F(3), one F(4), one F(5), and one F(8) atom to form distorted MnOF5 pentagonal pyramids that share  a cornercorner with one Li(1)F6 octahedra,  a cornercorner with one Mn(4)O3F3 octahedra,  an edgeedge with one Li(1)F6 octahedra, and  an edgeedge with one Mn(4)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 36-49°. The Mn(3)-O(2) bond length is 2.03 Å. The Mn(3)-F(2) bond length is 2.33 Å. The Mn(3)-F(3) bond length is 2.16 Å. The Mn(3)-F(4) bond length is 2.24 Å. The Mn(3)-F(5) bond length is 2.15 Å. The Mn(3)-F(8) bond length is 2.35 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(2), one O(3), one F(5), one F(8), and one F(9) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The Mn(4)-O(1) bond length is 2.11 Å. The Mn(4)-O(2) bond length is 2.10 Å. The Mn(4)-O(3) bond length is 2.13 Å. The Mn(4)-F(5) bond length is 2.23 Å. The Mn(4)-F(8) bond length is 2.28 Å. The Mn(4)-F(9) bond length is 2.25 Å. In the fifth Mn site, Mn(5) is bonded in a 6-coordinate geometry to one O(2), one O(3), one F(3), one F(4), one F(6), and one F(8) atom. The Mn(5)-O(2) bond length is 2.17 Å. The Mn(5)-O(3) bond length is 2.12 Å. The Mn(5)-F(3) bond length is 2.28 Å. The Mn(5)-F(4) bond length is 2.16 Å. The Mn(5)-F(6) bond length is 2.43 Å. The Mn(5)-F(8) bond length is 2.20 Å. In the sixth Mn site, Mn(6) is bonded in a 6-coordinate geometry to one O(3), one F(1), one F(4), one F(5), one F(7), and one F(9) atom. The Mn(6)-O(3) bond length is 2.10 Å. The Mn(6)-F(1) bond length is 2.17 Å. The Mn(6)-F(4) bond length is 2.33 Å. The Mn(6)-F(5) bond length is 2.14 Å. The Mn(6)-F(7) bond length is 2.26 Å. The Mn(6)-F(9) bond length is 2.17 Å. In the seventh Mn site, Mn(7) is bonded in a 6-coordinate geometry to one O(1), one F(2), one F(6), one F(7), one F(8), and one F(9) atom. The Mn(7)-O(1) bond length is 2.14 Å. The Mn(7)-F(2) bond length is 2.14 Å. The Mn(7)-F(6) bond length is 2.25 Å. The Mn(7)-F(7) bond length is 2.34 Å. The Mn(7)-F(8) bond length is 2.18 Å. The Mn(7)-F(9) bond length is 2.13 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mn(1), one Mn(2), one Mn(4), and one Mn(7) atom to form OMn4 tetrahedra that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the second O site, O(2) is bonded to one Mn(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted OMn4 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one O(3)Mn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom to form OMn4 tetrahedra that share  a cornercorner with one F(6)LiMn3 tetrahedra,  a cornercorner with one F(5)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids,  an edgeedge with one O(2)Mn4 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(2), and one Mn(6) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(1), one Mn(3), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Mn(3), and one Mn(5) atom. In the fourth F site, F(4) is bonded to one Li(1), one Mn(3), one Mn(5), and one Mn(6) atom to form distorted FLiMn3 trigonal pyramids that share corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(6)LiMn3 tetrahedra,  an edgeedge with one F(7)LiMn3 tetrahedra, and  an edgeedge with one F(5)Mn4 tetrahedra. In the fifth F site, F(5) is bonded to one Mn(2), one Mn(3), one Mn(4), and one Mn(6) atom to form distorted FMn4 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(7)LiMn3 tetrahedra,  an edgeedge with one O(1)Mn4 tetrahedra,  an edgeedge with one O(3)Mn4 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the sixth F site, F(6) is bonded to one Li(1), one Mn(1), one Mn(5), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share  a cornercorner with one O(3)Mn4 tetrahedra, corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(2)Mn4 tetrahedra, corners with two equivalent F(4)LiMn3 trigonal pyramids, and  an edgeedge with one F(7)LiMn3 tetrahedra. In the seventh F site, F(7) is bonded to one Li(1), one Mn(2), one Mn(6), and one Mn(7) atom to form distorted FLiMn3 tetrahedra that share corners with two equivalent O(1)Mn4 tetrahedra, corners with two equivalent O(3)Mn4 tetrahedra, corners with two equivalent F(5)Mn4 tetrahedra,  an edgeedge with one F(6)LiMn3 tetrahedra, and  an edgeedge with one F(4)LiMn3 trigonal pyramid. In the eighth F site, F(8) is bonded in a distorted see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the ninth F site, F(9) is bonded in a distorted see-saw-like geometry to one Mn(1), one Mn(4), one Mn(6), and one Mn(7) atom.