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DOE OSTI · 1716862

Materials Data on NaSbTe2 by Materials Project

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Abstract

NaSbTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent Te2- atoms to form NaTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Na–Te bond lengths are 3.28 Å. Sb3+ is bonded to six equivalent Te2- atoms to form SbTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 4°. All Sb–Te bond lengths are 3.11 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing TeNa3Sb3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-Sb-TeNaSbTe2

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2020-05-09. Materials Data on NaSbTe2 by Materials Project. https://doi.org/10.17188/1716862

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