LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 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 3-coordinate geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.
LiMnF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(4), and two equivalent F(2) atoms. The Li(1)-F(1) bond length is 2.32 Å. The Li(1)-F(3) bond length is 1.90 Å. The Li(1)-F(4) bond length is 1.97 Å. There is one shorter (2.02 Å) and one longer (2.44 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 F(1), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Both Mn(1)-F(1) bond lengths are 2.24 Å. Both Mn(1)-F(3) bond lengths are 1.83 Å. Both Mn(1)-F(4) bond lengths are 1.93 Å. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. Both Mn(2)-F(1) bond lengths are 1.91 Å. Both Mn(2)-F(2) bond lengths are 1.86 Å. Both Mn(2)-F(4) bond lengths are 2.30 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 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 3-coordinate geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.