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DOE OSTI · 1195546

Materials Data on KGdTe2 by Materials Project

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Abstract

KGdTe2 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 GdTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All K–Te bond lengths are 3.53 Å. Gd3+ is bonded to six equivalent Te2- atoms to form GdTe6 octahedra that share corners with six equivalent KTe6 octahedra, edges with six equivalent KTe6 octahedra, and edges with six equivalent GdTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Gd–Te bond lengths are 3.15 Å. Te2- is bonded to three equivalent K1+ and three equivalent Gd3+ atoms to form a mixture of edge and corner-sharing TeK3Gd3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGd-K-TeKGdTe2

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2020-07-16. Materials Data on KGdTe2 by Materials Project. https://doi.org/10.17188/1195546

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