Cs2ZrO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. Zr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Zr(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Zr(1) atoms.
Cs2ZrO3 crystallizes in the orthorhombic Cmcm space group. Cs(1) is bonded in a 7-coordinate geometry to three equivalent O(1) and four equivalent O(2) atoms. There is one shorter (3.05 Å) and two longer (3.51 Å) Cs(1)-O(1) bond lengths. There are two shorter (3.11 Å) and two longer (3.16 Å) Cs(1)-O(2) bond lengths. Zr(1) is bonded in a 5-coordinate geometry to one O(1) and four equivalent O(2) atoms. The Zr(1)-O(1) bond length is 1.92 Å. All Zr(1)-O(2) bond lengths are 2.10 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to six equivalent Cs(1) and one Zr(1) atom. In the second O site, O(2) is bonded in a distorted water-like geometry to four equivalent Cs(1) and two equivalent Zr(1) atoms.