LiMnF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) 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 octahedral tilt angles are 3°. There are four 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 bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.
LiMnF5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with four equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 26-35°. The Li(1)-F(1) bond length is 1.91 Å. The Li(1)-F(2) bond length is 1.93 Å. Both Li(1)-F(4) bond lengths are 1.91 Å. Mn(1) is bonded to one F(1), one F(2), two equivalent F(3), and two equivalent F(4) 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 octahedral tilt angles are 3°. The Mn(1)-F(1) bond length is 1.82 Å. The Mn(1)-F(2) bond length is 1.82 Å. There is one shorter (1.89 Å) and one longer (1.92 Å) Mn(1)-F(3) bond length. Both Mn(1)-F(4) bond lengths are 1.82 Å. There are four 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 bent 150 degrees geometry to one Li(1) and one Mn(1) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent Mn(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one Li(1) and one Mn(1) atom.