Li2CuF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent F(2) and three equivalent F(1) atoms. Cu(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted edge-sharing CuF6 octahedra. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form corner-sharing FLi3Cu tetrahedra.
Li2CuF4 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a 5-coordinate geometry to two equivalent F(2) and three equivalent F(1) atoms. There is one shorter (1.95 Å) and one longer (2.28 Å) Li(1)-F(2) bond length. There are a spread of Li(1)-F(1) bond distances ranging from 2.00-2.09 Å. Cu(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form distorted edge-sharing CuF6 octahedra. Both Cu(1)-F(1) bond lengths are 1.95 Å. There are two shorter (1.91 Å) and two longer (2.46 Å) Cu(1)-F(2) bond lengths. There are two inequivalent F sites. In the first F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to two equivalent Li(1) and two equivalent Cu(1) atoms. In the second F site, F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form corner-sharing FLi3Cu tetrahedra.