Materials Data on K4IrO4 by Materials Project

K4IrO4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of K–O bond distances ranging from 2.78–2.97 Å. In the second K1+ site, K1+ is bonded in a distorted see-saw-like geometry to four equivalent O2- atoms. All K–O bond lengths are 2.68 Å. Ir4+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ir–O bond lengths are 1.94 Å. O2- is bonded in a 6-coordinate geometry to five K1+ and one Ir4+ atom.