LiMn2O2F3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(2), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(2) atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra.
LiMn2O2F3 crystallizes in the monoclinic C2 space group. Li(1) is bonded in a 4-coordinate geometry to one O(1), one F(1), one F(2), one F(3), and one F(4) atom. The Li(1)-O(1) bond length is 2.56 Å. The Li(1)-F(1) bond length is 2.18 Å. The Li(1)-F(2) bond length is 1.83 Å. The Li(1)-F(3) bond length is 1.84 Å. The Li(1)-F(4) bond length is 2.29 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), two equivalent O(1), one F(2), one F(3), and one F(4) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. The Mn(1)-O(2) bond length is 1.94 Å. Both Mn(1)-O(1) bond lengths are 1.96 Å. The Mn(1)-F(2) bond length is 2.44 Å. The Mn(1)-F(3) bond length is 1.92 Å. The Mn(1)-F(4) bond length is 2.16 Å. In the second Mn site, Mn(2) is bonded to one O(1), two equivalent O(2), one F(1), one F(2), and one F(3) atom to form a mixture of distorted corner and edge-sharing MnO3F3 octahedra. The corner-sharing octahedral tilt angles range from 52-56°. The Mn(2)-O(1) bond length is 1.94 Å. There is one shorter (1.94 Å) and one longer (1.95 Å) Mn(2)-O(2) bond length. The Mn(2)-F(1) bond length is 2.19 Å. The Mn(2)-F(2) bond length is 1.92 Å. The Mn(2)-F(3) bond length is 2.42 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Li(1), one Mn(2), and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Mn(2) atoms to form corner-sharing FLi2Mn2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one Mn(2) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1) and two equivalent Mn(1) atoms to form corner-sharing FLi2Mn2 tetrahedra.