Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent F(2) and five equivalent F(1) atoms. Cu(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Cs(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second F site, F(1) is bonded in a distorted single-bond geometry to five equivalent Cs(1) and one Cu(1) atom.
Cs2CuF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a distorted q6 geometry to four equivalent F(2) and five equivalent F(1) atoms. All Cs(1)-F(2) bond lengths are 2.98 Å. There are four shorter (3.06 Å) and one longer (3.11 Å) Cs(1)-F(1) bond length. Cu(1) is bonded to two equivalent F(1) and four equivalent F(2) atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedra are not tilted. Both Cu(1)-F(1) bond lengths are 1.89 Å. All Cu(1)-F(2) bond lengths are 2.16 Å. There are two inequivalent F sites. In the first F site, F(2) is bonded to four equivalent Cs(1) and two equivalent Cu(1) atoms to form a mixture of distorted edge, face, and corner-sharing FCs4Cu2 octahedra. The corner-sharing octahedra are not tilted. In the second F site, F(1) is bonded in a distorted single-bond geometry to five equivalent Cs(1) and one Cu(1) atom.