LiMnF3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-68°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Mn(2)F6 octahedra. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted MnF6 octahedra that share corners with eight equivalent Li(1)F4 tetrahedra and edges with three equivalent Mn(1)F6 octahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLiMn3 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.
LiMnF3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to one F(1), one F(3), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra, corners with four equivalent Mn(2)F6 octahedra, and corners with two equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-68°. The Li(1)-F(1) bond length is 1.95 Å. The Li(1)-F(3) bond length is 1.90 Å. There is one shorter (1.89 Å) and one longer (1.90 Å) Li(1)-F(2) bond length. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent F(3) and four equivalent F(1) atoms to form MnF6 octahedra that share corners with six equivalent Li(1)F4 tetrahedra, edges with two equivalent Mn(1)F6 octahedra, and edges with three equivalent Mn(2)F6 octahedra. Both Mn(1)-F(3) bond lengths are 2.09 Å. There are two shorter (2.18 Å) and two longer (2.20 Å) Mn(1)-F(1) bond lengths. In the second Mn site, Mn(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted MnF6 octahedra that share corners with eight equivalent Li(1)F4 tetrahedra and edges with three equivalent Mn(1)F6 octahedra. Both Mn(2)-F(1) bond lengths are 2.36 Å. Both Mn(2)-F(2) bond lengths are 2.08 Å. Both Mn(2)-F(3) bond lengths are 2.14 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing FLiMn3 tetrahedra. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one Mn(2) atom.