Li4MnF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Mn(1)F5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one F(3), one F(4), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Mn(1)F5 trigonal bipyramids. Mn(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form MnF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom.
Li4MnF7 crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), one F(3), and two equivalent F(1) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with three equivalent Mn(1)F5 trigonal bipyramids. The Li(1)-F(2) bond length is 1.83 Å. The Li(1)-F(3) bond length is 1.97 Å. Both Li(1)-F(1) bond lengths are 1.95 Å. In the second Li site, Li(2) is bonded to one F(3), one F(4), and two equivalent F(2) atoms to form LiF4 tetrahedra that share corners with three equivalent Li(1)F4 tetrahedra, corners with three equivalent Li(2)F4 tetrahedra, and corners with two equivalent Mn(1)F5 trigonal bipyramids. The Li(2)-F(3) bond length is 1.98 Å. The Li(2)-F(4) bond length is 1.96 Å. There is one shorter (1.83 Å) and one longer (1.84 Å) Li(2)-F(2) bond length. Mn(1) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form MnF5 trigonal bipyramids that share corners with four equivalent Li(2)F4 tetrahedra and corners with six equivalent Li(1)F4 tetrahedra. The Mn(1)-F(4) bond length is 1.90 Å. Both Mn(1)-F(1) bond lengths are 1.97 Å. Both Mn(1)-F(3) bond lengths are 1.87 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Li(2) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Li(1), one Li(2), and one Mn(1) atom. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(2) and one Mn(1) atom.