Materials Data on Rb(IrO2)6 by Materials Project

Abstract

Rb(IrO2)6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.86 Å) and four longer (3.40 Å) Rb–O bond lengths. There are two inequivalent Ir+3.83+ sites. In the first Ir+3.83+ site, Ir+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Ir–O bond distances ranging from 1.98–2.07 Å. In the second Ir+3.83+ site, Ir+3.83+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing IrO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Ir–O bond distances ranging from 1.98–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Rb1+ and three Ir+3.83+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Rb1+ and three Ir+3.83+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.83+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three Ir+3.83+ atoms.