Materials Data on Na4IrO4 by Materials Project
Na4IrO4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Na1+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing NaO5 trigonal bipyramids. There are a spread of Na–O bond distances ranging from 2.30–2.56 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 to five equivalent Na1+ and one Ir4+ atom to form a mixture of distorted corner and edge-sharing ONa5Ir octahedra. The corner-sharing octahedra tilt angles range from 0–16°.
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