LiCuF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1) and three equivalent F(2) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. Cu(1) is bonded in a linear geometry to one F(1) and one F(2) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom.
LiCuF2 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded to two equivalent F(1) and three equivalent F(2) atoms to form a mixture of corner and edge-sharing LiF5 trigonal bipyramids. There is one shorter (1.92 Å) and one longer (1.94 Å) Li(1)-F(1) bond length. There are two shorter (1.97 Å) and one longer (2.05 Å) Li(1)-F(2) bond length. Cu(1) is bonded in a linear geometry to one F(1) and one F(2) atom. The Cu(1)-F(1) bond length is 1.85 Å. The Cu(1)-F(2) bond length is 1.88 Å. There are two inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom.