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DOE OSTI · 1187596

Materials Data on NaPrTe2 by Materials Project

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Abstract

NaPrTe2 is Caswellsilverite-like structured and crystallizes in the cubic Fd-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 PrTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Na–Te bond lengths are 3.29 Å. Pr3+ is bonded to six equivalent Te2- atoms to form PrTe6 octahedra that share corners with six equivalent NaTe6 octahedra, edges with six equivalent NaTe6 octahedra, and edges with six equivalent PrTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Pr–Te bond lengths are 3.21 Å. Te2- is bonded to three equivalent Na1+ and three equivalent Pr3+ atoms to form a mixture of edge and corner-sharing TeNa3Pr3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureNa-Pr-TeNaPrTe2

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2020-07-18. Materials Data on NaPrTe2 by Materials Project. https://doi.org/10.17188/1187596

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