LiMnF5 crystallizes in the tetragonal P4_1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 47°. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mn(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.
LiMnF5 crystallizes in the tetragonal P4_1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(2), one F(3), one F(4), and one F(5) atom. The Li(1)-F(1) bond length is 1.94 Å. The Li(1)-F(2) bond length is 1.98 Å. The Li(1)-F(3) bond length is 1.95 Å. The Li(1)-F(4) bond length is 2.41 Å. The Li(1)-F(5) bond length is 1.96 Å. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(5), and two equivalent F(4) atoms to form distorted corner-sharing MnF6 octahedra. The corner-sharing octahedral tilt angles are 47°. The Mn(1)-F(1) bond length is 1.84 Å. The Mn(1)-F(2) bond length is 1.80 Å. The Mn(1)-F(3) bond length is 1.80 Å. The Mn(1)-F(5) bond length is 1.80 Å. There is one shorter (2.04 Å) and one longer (2.08 Å) Mn(1)-F(4) bond length. There are five inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Mn(1) atoms. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.