Cs2Ti(WO4)3 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CsO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with nine equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-72°. Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-72°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ti(1), and one W(1) atom.
Cs2Ti(WO4)3 crystallizes in the trigonal R-3m space group. Cs(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted CsO6 octahedra that share corners with three equivalent Ti(1)O6 octahedra and corners with nine equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 71-72°. All Cs(1)-O(1) bond lengths are 3.27 Å. All Cs(1)-O(2) bond lengths are 3.21 Å. Ti(1) is bonded to six equivalent O(2) atoms to form TiO6 octahedra that share corners with six equivalent Cs(1)O6 octahedra and corners with six equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-71°. All Ti(1)-O(2) bond lengths are 1.95 Å. W(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form WO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent W(1)O6 octahedra, and corners with six equivalent Cs(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-72°. Both W(1)-O(2) bond lengths are 1.88 Å. All W(1)-O(1) bond lengths are 1.93 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Cs(1) and two equivalent W(1) atoms. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Cs(1), one Ti(1), and one W(1) atom.