Li3MnF7 crystallizes in the trigonal R3m space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. Mn(1) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form MnF6 octahedra that share corners with nine equivalent Li(1)F4 tetrahedra. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Li(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.
Li3MnF7 crystallizes in the trigonal R3m space group. Li(1) is bonded to one F(1), one F(2), and two equivalent F(3) atoms to form LiF4 tetrahedra that share corners with three equivalent Mn(1)F6 octahedra and corners with four equivalent Li(1)F4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Li(1)-F(1) bond length is 1.95 Å. The Li(1)-F(2) bond length is 1.77 Å. Both Li(1)-F(3) bond lengths are 1.97 Å. Mn(1) is bonded to three equivalent F(1) and three equivalent F(3) atoms to form MnF6 octahedra that share corners with nine equivalent Li(1)F4 tetrahedra. All Mn(1)-F(1) bond lengths are 1.82 Å. All Mn(1)-F(3) bond lengths are 1.90 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Li(1) and one Mn(1) atom. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to three equivalent Li(1) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Mn(1) atom.