Materials Data on NaSr3IrO6 by Materials Project
NaSr3IrO6 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 2.40 Å. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.55–2.81 Å. Ir5+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Ir–O bond lengths are 2.02 Å. O2- is bonded to one Na1+, four equivalent Sr2+, and one Ir5+ atom to form a mixture of distorted corner, edge, and face-sharing ONaSr4Ir octahedra. The corner-sharing octahedra tilt angles range from 0–63°.
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