LiMnF3 crystallizes in the orthorhombic Ibam 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 and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with five equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to four equivalent Mn(1) atoms. 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.
LiMnF3 crystallizes in the orthorhombic Ibam 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 and edges with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Both Li(1)-F(1) bond lengths are 1.88 Å. Both Li(1)-F(3) bond lengths are 1.86 Å. Mn(1) is bonded to one F(1), one F(3), and four equivalent F(2) atoms to form distorted MnF6 octahedra that share corners with two equivalent Mn(1)F6 octahedra, corners with four equivalent Li(1)F4 tetrahedra, and edges with five equivalent Mn(1)F6 octahedra. The corner-sharing octahedral tilt angles are 22°. The Mn(1)-F(1) bond length is 2.02 Å. The Mn(1)-F(3) bond length is 2.02 Å. There are a spread of Mn(1)-F(2) bond distances ranging from 2.22-2.43 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a distorted see-saw-like geometry to four equivalent Mn(1) atoms. 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.