Cs2TiO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to six equivalent Cs(1) and one Ti(1) atom.
Cs2TiO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(2) and four equivalent O(1) atoms. There is one shorter (3.22 Å) and two longer (3.33 Å) Cs(1)-O(2) bond lengths. There are two shorter (3.05 Å) and two longer (3.10 Å) Cs(1)-O(1) bond lengths. Ti(1) is bonded in a 5-coordinate geometry to one O(2) and four equivalent O(1) atoms. The Ti(1)-O(2) bond length is 1.78 Å. All Ti(1)-O(1) bond lengths are 1.97 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Ti(1) atoms. In the second O site, O(2) is bonded in a single-bond geometry to six equivalent Cs(1) and one Ti(1) atom.