LiMnOF2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. O(1) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLi2Mn2 tetrahedra. There are two inequivalent F sites. In the first 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 second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom.
LiMnOF2 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent O(1), one F(1), and two equivalent F(2) atoms. There is one shorter (2.03 Å) and one longer (2.10 Å) Li(1)-O(1) bond length. The Li(1)-F(1) bond length is 1.94 Å. There is one shorter (2.10 Å) and one longer (2.38 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), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. Both Mn(1)-O(1) bond lengths are 1.89 Å. Both Mn(1)-F(1) bond lengths are 2.01 Å. Both Mn(1)-F(2) bond lengths are 2.16 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form distorted corner-sharing MnO2F4 octahedra. The corner-sharing octahedral tilt angles range from 29-49°. Both Mn(2)-O(1) bond lengths are 1.86 Å. Both Mn(2)-F(1) bond lengths are 2.37 Å. Both Mn(2)-F(2) bond lengths are 1.99 Å. O(1) is bonded to two equivalent Li(1), one Mn(1), and one Mn(2) atom to form corner-sharing OLi2Mn2 tetrahedra. There are two inequivalent F sites. In the first 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 second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom.