K2Ti(O2)F4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent F(1), and four equivalent F(2) atoms. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 5°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent K(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK4Ti trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom.
K2Ti(O2)F4 crystallizes in the orthorhombic Cmcm space group. K(1) is bonded in a 12-coordinate geometry to two equivalent O(1), two equivalent O(2), four equivalent F(1), and four equivalent F(2) atoms. There is one shorter (3.00 Å) and one longer (3.22 Å) K(1)-O(1) bond length. There is one shorter (3.09 Å) and one longer (3.15 Å) K(1)-O(2) bond length. There are two shorter (2.70 Å) and two longer (2.92 Å) K(1)-F(1) bond lengths. There are two shorter (2.88 Å) and two longer (3.20 Å) K(1)-F(2) bond lengths. Ti(1) is bonded to two equivalent O(1), two equivalent F(1), and two equivalent F(2) atoms to form corner-sharing TiO2F4 octahedra. The corner-sharing octahedral tilt angles are 5°. Both Ti(1)-O(1) bond lengths are 1.90 Å. Both Ti(1)-F(1) bond lengths are 1.94 Å. Both Ti(1)-F(2) bond lengths are 1.95 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to four equivalent K(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to four equivalent K(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded to four equivalent K(1) and one Ti(1) atom to form a mixture of distorted corner and edge-sharing FK4Ti trigonal bipyramids. In the second F site, F(2) is bonded in a distorted single-bond geometry to four equivalent K(1) and one Ti(1) atom.