Materials Data on K(IrO2)4 by Materials Project
K(IrO2)4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.64 Å) and two longer (2.65 Å) K–O bond lengths. There are two inequivalent Ir+3.75+ sites. In the first Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.97–2.08 Å. In the second Ir+3.75+ site, Ir+3.75+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing IrO6 octahedra. The corner-sharing octahedral tilt angles are 53°. There are a spread of Ir–O bond distances ranging from 1.99–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one K1+ and three equivalent Ir+3.75+ atoms to form a mixture of distorted edge and corner-sharing OKIr3 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.75+ atoms. In the fourth O2- site, O2- is bonded to one K1+ and three equivalent Ir+3.75+ atoms to form a mixture of distorted edge and corner-sharing OKIr3 tetrahedra.