Materials Data on NaCa3IrO6 by Materials Project
NaCa3IrO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Na1+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Na–O bond lengths are 2.36 Å. Ca2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Ca–O bond distances ranging from 2.39–2.79 Å. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.00 Å. O2- is bonded in a 6-coordinate geometry to one Na1+, four equivalent Ca2+, and one Ir5+ atom.
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