LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1) atoms.
LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(3), two equivalent F(1), and two equivalent F(2) atoms. The Li(1)-F(3) bond length is 2.10 Å. There is one shorter (1.94 Å) and one longer (1.96 Å) Li(1)-F(1) bond length. There is one shorter (2.08 Å) and one longer (2.24 Å) Li(1)-F(2) bond length. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 40-47°. The Mn(1)-F(1) bond length is 1.96 Å. The Mn(1)-F(2) bond length is 1.84 Å. There is one shorter (2.03 Å) and one longer (2.07 Å) Mn(1)-F(3) bond length. There is one shorter (1.89 Å) and one longer (2.07 Å) Mn(1)-F(4) bond length. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Mn(1) atoms.