Cs4IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. O(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Ir(1) atom.
Cs4IrO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent Cs sites. In the first Cs site, Cs(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. There are two shorter (2.93 Å) and two longer (2.97 Å) Cs(1)-O(1) bond lengths. In the second Cs site, Cs(2) is bonded in a 6-coordinate geometry to six equivalent O(1) atoms. There are a spread of Cs(2)-O(1) bond distances ranging from 3.03-3.25 Å. Ir(1) is bonded in a square co-planar geometry to four equivalent O(1) atoms. All Ir(1)-O(1) bond lengths are 1.93 Å. O(1) is bonded in a 6-coordinate geometry to two equivalent Cs(1), three equivalent Cs(2), and one Ir(1) atom.