LiMnF4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(3) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent 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 56-57°. 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 56-57°. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(2) atom.
LiMnF4 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(3) atoms. There is one shorter (1.95 Å) and one longer (1.99 Å) Li(1)-F(1) bond length. There is one shorter (1.96 Å) and one longer (2.00 Å) Li(1)-F(3) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent 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 56-57°. Both Mn(1)-F(2) bond lengths are 1.89 Å. Both Mn(1)-F(3) bond lengths are 1.87 Å. Both Mn(1)-F(4) bond lengths are 2.28 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 56-57°. Both Mn(2)-F(1) bond lengths are 1.87 Å. Both Mn(2)-F(2) bond lengths are 2.29 Å. Both Mn(2)-F(4) bond lengths are 1.87 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(2) atom. In the second F site, F(2) is bonded in a distorted bent 120 degrees geometry to one Mn(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one Mn(1) and one Mn(2) atom.