LiCu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Cu(2) atoms.
LiCu2F5 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Li(1)-F(1) bond lengths are 2.43 Å. Both Li(1)-F(2) bond lengths are 1.89 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent F(1) and two equivalent F(2) atoms. Both Cu(1)-F(1) bond lengths are 1.92 Å. Both Cu(1)-F(2) bond lengths are 1.88 Å. In the second Cu site, Cu(2) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(3) atoms to form distorted corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 52°. Both Cu(2)-F(1) bond lengths are 1.91 Å. Both Cu(2)-F(2) bond lengths are 2.43 Å. Both Cu(2)-F(3) bond lengths are 1.91 Å. There are three inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Li(1), one Cu(1), and one Cu(2) atom. In the third F site, F(3) is bonded in a bent 120 degrees geometry to two equivalent Cu(2) atoms.