Cs2CaF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. Ca(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CaF6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Cs(1) and one Ca(1) atom to form a mixture of distorted corner and edge-sharing FCs5Ca octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Ca(1) atoms.
Cs2CaF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. Cs(1) is bonded in a 9-coordinate geometry to four equivalent F(1) and five equivalent F(2) atoms. All Cs(1)-F(1) bond lengths are 3.16 Å. There is one shorter (2.95 Å) and four longer (3.18 Å) Cs(1)-F(2) bond lengths. Ca(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form corner-sharing CaF6 octahedra. The corner-sharing octahedra are not tilted. Both Ca(1)-F(2) bond lengths are 2.26 Å. All Ca(1)-F(1) bond lengths are 2.25 Å. There are two inequivalent F sites. In the first F site, F(2) is bonded to five equivalent Cs(1) and one Ca(1) atom to form a mixture of distorted corner and edge-sharing FCs5Ca octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second F site, F(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Ca(1) atoms.