LiCuF2 crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent F(1) atoms to form edge-sharing LiF6 octahedra. Cu(1) is bonded in a linear geometry to two equivalent F(1) atoms. F(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom.
LiCuF2 crystallizes in the trigonal R-3m space group. Li(1) is bonded to six equivalent F(1) atoms to form edge-sharing LiF6 octahedra. All Li(1)-F(1) bond lengths are 1.97 Å. Cu(1) is bonded in a linear geometry to two equivalent F(1) atoms. Both Cu(1)-F(1) bond lengths are 1.83 Å. F(1) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom.