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DOE OSTI · 1188338

Materials Data on KLaTe2 by Materials Project

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Abstract

KLaTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded to six equivalent Te2- atoms to form KTe6 octahedra that share corners with six equivalent LaTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent LaTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All K–Te bond lengths are 3.59 Å. La3+ is bonded to six equivalent Te2- atoms to form LaTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent LaTe6 octahedra. The corner-sharing octahedral tilt angles are 8°. All La–Te bond lengths are 3.25 Å. Te2- is bonded to three equivalent K1+ and three equivalent La3+ atoms to form a mixture of corner and edge-sharing TeK3La3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureK-La-TeKLaTe2

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2020-05-02. Materials Data on KLaTe2 by Materials Project. https://doi.org/10.17188/1188338

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