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DOE OSTI · 1313099

Materials Data on KErTe2 by Materials Project

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Abstract

KErTe2 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 distorted KTe6 octahedra that share corners with six equivalent ErTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All K–Te bond lengths are 3.54 Å. Er3+ is bonded to six equivalent Te2- atoms to form ErTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent ErTe6 octahedra. The corner-sharing octahedral tilt angles are 10°. All Er–Te bond lengths are 3.09 Å. Te2- is bonded to three equivalent K1+ and three equivalent Er3+ atoms to form a mixture of edge and corner-sharing TeK3Er3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureEr-K-TeKErTe2

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2020-07-16. Materials Data on KErTe2 by Materials Project. https://doi.org/10.17188/1313099

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