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DOE OSTI · 1289590

Materials Data on NaTmO2 by Materials Project

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Abstract

NaTmO2 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 TmO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TmO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Na–O bond lengths are 2.53 Å. Tm3+ is bonded to six equivalent O2- atoms to form TmO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent TmO6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tm–O bond lengths are 2.26 Å. O2- is bonded to three equivalent Na1+ and three equivalent Tm3+ atoms to form a mixture of edge and corner-sharing ONa3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-O-TmNaTmO2

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2020-07-20. Materials Data on NaTmO2 by Materials Project. https://doi.org/10.17188/1289590

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