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DOE OSTI · 1317573

Materials Data on NaSmTe2 by Materials Project

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Abstract

NaSmTe2 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 SmTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Na–Te bond lengths are 3.28 Å. Sm3+ is bonded to six equivalent Te2- atoms to form SmTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent SmTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Sm–Te bond lengths are 3.16 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Sm3+ atoms to form a mixture of edge and corner-sharing TeNa3Sm3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-Sm-TeNaSmTe2

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2020-07-15. Materials Data on NaSmTe2 by Materials Project. https://doi.org/10.17188/1317573

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