Li2FeF4 crystallizes in the tetragonal P4_2/mbc space group. Li(1) is bonded in a trigonal planar geometry to one F(1) and two equivalent F(2) atoms. Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing FeF6 octahedra. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom.
Li2FeF4 crystallizes in the tetragonal P4_2/mbc space group. Li(1) is bonded in a trigonal planar geometry to one F(1) and two equivalent F(2) atoms. The Li(1)-F(1) bond length is 1.82 Å. Both Li(1)-F(2) bond lengths are 1.84 Å. Fe(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form edge-sharing FeF6 octahedra. Both Fe(1)-F(2) bond lengths are 2.05 Å. All Fe(1)-F(1) bond lengths are 2.14 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Fe(1) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Fe(1) atom.