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DOE OSTI · 1287612

Materials Data on NaRuO2 by Materials Project

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Abstract

NaRuO2 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 RuO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Na–O bond lengths are 2.39 Å. Ru3+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent RuO6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Ru–O bond lengths are 2.11 Å. O2- is bonded to three equivalent Na1+ and three equivalent Ru3+ atoms to form a mixture of corner and edge-sharing ONa3Ru3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-O-RuNaRuO2

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2020-07-14. Materials Data on NaRuO2 by Materials Project. https://doi.org/10.17188/1287612

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