LiMnF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to 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(4), and two equivalent F(5) atoms to form edge-sharing MnF6 octahedra. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms.
LiMnF5 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a rectangular see-saw-like geometry to one F(2), one F(3), one F(4), and one F(5) atom. The Li(1)-F(2) bond length is 2.02 Å. The Li(1)-F(3) bond length is 2.04 Å. The Li(1)-F(4) bond length is 1.90 Å. The Li(1)-F(5) bond length is 2.09 Å. Mn(1) is bonded to one F(1), one F(2), one F(3), one F(4), and two equivalent F(5) atoms to form edge-sharing MnF6 octahedra. The Mn(1)-F(1) bond length is 1.76 Å. The Mn(1)-F(2) bond length is 1.79 Å. The Mn(1)-F(3) bond length is 1.82 Å. The Mn(1)-F(4) bond length is 1.82 Å. There is one shorter (1.99 Å) and one longer (2.02 Å) Mn(1)-F(5) bond length. There are five inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Mn(1) atom. In the second F site, F(2) is bonded in a water-like geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a water-like geometry to one Li(1) and one Mn(1) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the fifth F site, F(5) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms.