LiMn2O2F3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), two equivalent F(1), and three equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), three equivalent O(2), and one F(3) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Mn(1)O5F octahedra, edges with three equivalent Mn(2)O2F4 octahedra, and edges with three equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 28-29°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(3) atoms to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(1)O5F octahedra, corners with two equivalent Mn(2)O2F4 octahedra, and edges with three equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 28-43°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mn(2) and three equivalent Mn(1) atoms to form OMn4 trigonal pyramids that share  a cornercorner with one F(2)Li3Mn trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid, corners with two equivalent O(2)Mn4 trigonal pyramids, edges with two equivalent O(2)Mn4 trigonal pyramids, and edges with two equivalent F(3)LiMn3 trigonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(2) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid, corners with two equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(2)Li3Mn trigonal pyramids, and edges with two equivalent F(3)LiMn3 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid,  a cornercorner with one F(2)Li3Mn trigonal pyramid, corners with two equivalent F(3)LiMn3 trigonal pyramids, edges with two equivalent O(2)Mn4 trigonal pyramids, and edges with two equivalent F(2)Li3Mn trigonal pyramids.
LiMn2O2F3 is beta indium sulfide-derived structured and crystallizes in the monoclinic C2/m space group. Li(1) is bonded in a 6-coordinate geometry to one F(3), two equivalent F(1), and three equivalent F(2) atoms. The Li(1)-F(3) bond length is 2.22 Å. There is one shorter (1.90 Å) and one longer (1.98 Å) Li(1)-F(1) bond length. There are two shorter (2.11 Å) and one longer (2.33 Å) Li(1)-F(2) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), three equivalent O(2), and one F(3) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mn(2)O2F4 octahedra, corners with two equivalent Mn(1)O5F octahedra, edges with three equivalent Mn(2)O2F4 octahedra, and edges with three equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 28-29°. There is one shorter (1.92 Å) and one longer (1.96 Å) Mn(1)-O(1) bond length. There are two shorter (2.09 Å) and one longer (2.12 Å) Mn(1)-O(2) bond length. The Mn(1)-F(3) bond length is 2.06 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one F(1), one F(2), and two equivalent F(3) atoms to form distorted MnO2F4 octahedra that share  a cornercorner with one Mn(1)O5F octahedra, corners with two equivalent Mn(2)O2F4 octahedra, and edges with three equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 28-43°. The Mn(2)-O(1) bond length is 1.89 Å. The Mn(2)-O(2) bond length is 2.15 Å. The Mn(2)-F(1) bond length is 1.90 Å. The Mn(2)-F(2) bond length is 2.00 Å. Both Mn(2)-F(3) bond lengths are 2.17 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mn(2) and three equivalent Mn(1) atoms to form OMn4 trigonal pyramids that share  a cornercorner with one F(2)Li3Mn trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid, corners with two equivalent O(2)Mn4 trigonal pyramids, edges with two equivalent O(2)Mn4 trigonal pyramids, and edges with two equivalent F(3)LiMn3 trigonal pyramids. There are three inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded to three equivalent Li(1) and one Mn(2) atom to form FLi3Mn trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid,  a cornercorner with one F(3)LiMn3 trigonal pyramid, corners with two equivalent F(2)Li3Mn trigonal pyramids, edges with two equivalent F(2)Li3Mn trigonal pyramids, and edges with two equivalent F(3)LiMn3 trigonal pyramids. In the third F site, F(3) is bonded to one Li(1), one Mn(1), and two equivalent Mn(2) atoms to form distorted FLiMn3 trigonal pyramids that share  a cornercorner with one O(2)Mn4 trigonal pyramid,  a cornercorner with one F(2)Li3Mn trigonal pyramid, corners with two equivalent F(3)LiMn3 trigonal pyramids, edges with two equivalent O(2)Mn4 trigonal pyramids, and edges with two equivalent F(2)Li3Mn trigonal pyramids.