Li4MnF7 crystallizes in the cubic F-43m space group. Li(1) is bonded to one F(1) and three equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra and corners with six equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. Mn(1) is bonded to six equivalent F(2) atoms to form MnF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.
Li4MnF7 crystallizes in the cubic F-43m space group. Li(1) is bonded to one F(1) and three equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra and corners with six equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. The Li(1)-F(1) bond length is 1.81 Å. All Li(1)-F(2) bond lengths are 1.91 Å. Mn(1) is bonded to six equivalent F(2) atoms to form MnF6 octahedra that share corners with twelve equivalent Li(1)F4 tetrahedra. All Mn(1)-F(2) bond lengths are 2.00 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a tetrahedral geometry to four equivalent Li(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.