LiFe2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted linear geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Fe(1) is bonded to one F(1), two equivalent F(2), and three equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted corner-sharing FLi2Fe2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Fe(1) atoms.
LiFe2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted linear geometry to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms. Both Li(1)-F(1) bond lengths are 2.49 Å. Both Li(1)-F(2) bond lengths are 1.81 Å. Both Li(1)-F(3) bond lengths are 2.47 Å. Fe(1) is bonded to one F(1), two equivalent F(2), and three equivalent F(3) atoms to form a mixture of corner and edge-sharing FeF6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Fe(1)-F(1) bond length is 2.09 Å. There is one shorter (1.99 Å) and one longer (2.22 Å) Fe(1)-F(2) bond length. There are a spread of Fe(1)-F(3) bond distances ranging from 2.07-2.22 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded to two equivalent Li(1) and two equivalent Fe(1) atoms to form distorted corner-sharing FLi2Fe2 tetrahedra. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1) and two equivalent Fe(1) atoms. In the third F site, F(3) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Fe(1) atoms.