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DOE OSTI · 1263127

Materials Data on NaInO2 by Materials Project

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Abstract

NaInO2 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 InO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.47 Å. In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent InO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All In–O bond lengths are 2.24 Å. O2- is bonded to three equivalent Na1+ and three equivalent In3+ atoms to form a mixture of edge and corner-sharing ONa3In3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureIn-Na-ONaInO2

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2020-07-14. Materials Data on NaInO2 by Materials Project. https://doi.org/10.17188/1263127

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