LiMnF5 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.
LiMnF5 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent F(1) and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-33°. Both Li(1)-F(1) bond lengths are 1.93 Å. Both Li(1)-F(3) bond lengths are 1.91 Å. Mn(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedra are not tilted. Both Mn(1)-F(1) bond lengths are 1.80 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Mn(1)-F(2) bond length. Both Mn(1)-F(3) bond lengths are 1.81 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.