CsTiZnOF5 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(2) and four equivalent F(1) atoms to form distorted CsF5 square pyramids that share corners with four equivalent Ti(1)O2F4 octahedra and corners with six equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 65-71°. Ti(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with four equivalent Zn(1)F6 octahedra, and corners with four equivalent Cs(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 26-45°. Zn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZnF6 octahedra that share corners with two equivalent Zn(1)F6 octahedra, corners with four equivalent Ti(1)O2F4 octahedra, and corners with six equivalent Cs(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 44-45°. O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Ti(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Zn(1) atoms.
CsTiZnOF5 crystallizes in the orthorhombic Imma space group. Cs(1) is bonded to one F(2) and four equivalent F(1) atoms to form distorted CsF5 square pyramids that share corners with four equivalent Ti(1)O2F4 octahedra and corners with six equivalent Zn(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 65-71°. The Cs(1)-F(2) bond length is 3.29 Å. All Cs(1)-F(1) bond lengths are 3.15 Å. Ti(1) is bonded to two equivalent O(1) and four equivalent F(1) atoms to form TiO2F4 octahedra that share corners with two equivalent Ti(1)O2F4 octahedra, corners with four equivalent Zn(1)F6 octahedra, and corners with four equivalent Cs(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 26-45°. Both Ti(1)-O(1) bond lengths are 1.87 Å. All Ti(1)-F(1) bond lengths are 1.96 Å. Zn(1) is bonded to two equivalent F(2) and four equivalent F(1) atoms to form ZnF6 octahedra that share corners with two equivalent Zn(1)F6 octahedra, corners with four equivalent Ti(1)O2F4 octahedra, and corners with six equivalent Cs(1)F5 square pyramids. The corner-sharing octahedral tilt angles range from 44-45°. Both Zn(1)-F(2) bond lengths are 2.01 Å. All Zn(1)-F(1) bond lengths are 2.09 Å. O(1) is bonded in a bent 150 degrees geometry to two equivalent Ti(1) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a 2-coordinate geometry to one Cs(1), one Ti(1), and one Zn(1) atom. In the second F site, F(2) is bonded in a 2-coordinate geometry to one Cs(1) and two equivalent Zn(1) atoms.