Li2Cu2F5 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), two equivalent F(3), and three equivalent F(1) atoms to form edge-sharing LiF6 octahedra. In the second Li site, Li(2) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form edge-sharing LiF6 octahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), and two equivalent F(4) atoms. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one F(3), one F(4), and one F(5) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Cu(1) atom to form corner-sharing FLi3Cu trigonal pyramids. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(2), and two equivalent Cu(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one Cu(2) atom.
Li2Cu2F5 is beta indium sulfide-derived structured and crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one F(2), two equivalent F(3), and three equivalent F(1) atoms to form edge-sharing LiF6 octahedra. The Li(1)-F(2) bond length is 1.96 Å. There is one shorter (2.01 Å) and one longer (2.04 Å) Li(1)-F(3) bond length. There are a spread of Li(1)-F(1) bond distances ranging from 1.98-2.12 Å. In the second Li site, Li(2) is bonded to one F(3), one F(4), two equivalent F(2), and two equivalent F(5) atoms to form edge-sharing LiF6 octahedra. The Li(2)-F(3) bond length is 2.14 Å. The Li(2)-F(4) bond length is 2.24 Å. There is one shorter (2.03 Å) and one longer (2.06 Å) Li(2)-F(2) bond length. There is one shorter (1.98 Å) and one longer (1.99 Å) Li(2)-F(5) bond length. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), and two equivalent F(4) atoms. The Cu(1)-F(1) bond length is 1.86 Å. The Cu(1)-F(2) bond length is 1.85 Å. There is one shorter (2.10 Å) and one longer (2.44 Å) Cu(1)-F(4) bond length. In the second Cu site, Cu(2) is bonded in a distorted T-shaped geometry to one F(3), one F(4), and one F(5) atom. The Cu(2)-F(3) bond length is 1.86 Å. The Cu(2)-F(4) bond length is 2.01 Å. The Cu(2)-F(5) bond length is 1.84 Å. There are five inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to three equivalent Li(1) and one Cu(1) atom. In the second F site, F(2) is bonded to one Li(1), two equivalent Li(2), and one Cu(1) atom to form corner-sharing FLi3Cu trigonal pyramids. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Li(1), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(2), and two equivalent Cu(1) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to two equivalent Li(2) and one Cu(2) atom.