Li4Mn7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. In the second Li site, Li(2) is bonded to one F(3), one F(5), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with four equivalent Mn(4)O2F4 octahedra. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. O(1) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form corner-sharing OLiMn3 tetrahedra. There are five inequivalent F sites. In the first F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(4) atoms. In the third F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms.
Li4Mn7(OF7)2 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one F(2), and two equivalent F(1) atoms to form LiOF3 tetrahedra that share  a cornercorner with one Mn(3)O2F4 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(2)F6 octahedra. The corner-sharing octahedral tilt angles range from 49-64°. The Li(1)-O(1) bond length is 2.06 Å. The Li(1)-F(2) bond length is 2.13 Å. Both Li(1)-F(1) bond lengths are 2.01 Å. In the second Li site, Li(2) is bonded to one F(3), one F(5), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Mn(2)F6 octahedra, corners with two equivalent Mn(3)O2F4 octahedra, corners with three equivalent Mn(1)F6 octahedra, and corners with four equivalent Mn(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 52-59°. The Li(2)-F(3) bond length is 1.93 Å. The Li(2)-F(5) bond length is 1.94 Å. Both Li(2)-F(4) bond lengths are 1.99 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one F(2), one F(5), two equivalent F(1), and two equivalent F(4) atoms to form MnF6 octahedra that share corners with three equivalent Li(2)F4 tetrahedra, corners with three equivalent Li(1)OF3 tetrahedra,  an edgeedge with one Mn(3)O2F4 octahedra, edges with two equivalent Mn(2)F6 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. The Mn(1)-F(2) bond length is 2.23 Å. The Mn(1)-F(5) bond length is 2.13 Å. Both Mn(1)-F(1) bond lengths are 2.09 Å. Both Mn(1)-F(4) bond lengths are 2.22 Å. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Li(2)F4 tetrahedra, corners with four equivalent Li(1)OF3 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with two equivalent Mn(2)F6 octahedra. Both Mn(2)-F(1) bond lengths are 2.16 Å. Both Mn(2)-F(2) bond lengths are 2.21 Å. Both Mn(2)-F(3) bond lengths are 2.12 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1) and four equivalent F(4) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with four equivalent Mn(4)O2F4 octahedra. Both Mn(3)-O(1) bond lengths are 2.05 Å. All Mn(3)-F(4) bond lengths are 2.29 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent F(4), and two equivalent F(5) atoms to form MnO2F4 octahedra that share corners with two equivalent Li(1)OF3 tetrahedra, corners with four equivalent Li(2)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, edges with two equivalent Mn(3)O2F4 octahedra, and edges with two equivalent Mn(4)O2F4 octahedra. Both Mn(4)-O(1) bond lengths are 2.04 Å. Both Mn(4)-F(4) bond lengths are 2.28 Å. Both Mn(4)-F(5) bond lengths are 2.34 Å. O(1) is bonded to one Li(1), one Mn(3), and two equivalent Mn(4) atoms to form corner-sharing OLiMn3 tetrahedra. There are five inequivalent F sites. In the first F site, F(4) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), one Mn(3), and one Mn(4) atom. In the second F site, F(5) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(1), and two equivalent Mn(4) atoms. In the third F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(2) is bonded in a rectangular see-saw-like geometry to one Li(1), one Mn(1), and two equivalent Mn(2) atoms. In the fifth F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(2) and two equivalent Mn(2) atoms.