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DOE OSTI · 1312757

Materials Data on NaRhO2 by Materials Project

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Abstract

NaRhO2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent RhO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RhO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Na–O bond lengths are 2.41 Å. Rh3+ is bonded to six equivalent O2- atoms to form RhO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RhO6 octahedra. The corner-sharing octahedral tilt angles are 11°. All Rh–O bond lengths are 2.10 Å. O2- is bonded to three equivalent Na1+ and three equivalent Rh3+ atoms to form a mixture of corner and edge-sharing ONa3Rh3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-O-RhNaRhO2

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2020-07-16. Materials Data on NaRhO2 by Materials Project. https://doi.org/10.17188/1312757

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