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DOE OSTI · 1690922

Materials Data on K8CaTe6 by Materials Project

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Abstract

K8CaTe6 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six Te+1.67- atoms. There are a spread of K–Te bond distances ranging from 3.59–3.78 Å. Ca2+ is bonded in a tetrahedral geometry to four equivalent Te+1.67- atoms. All Ca–Te bond lengths are 3.18 Å. There are two inequivalent Te+1.67- sites. In the first Te+1.67- site, Te+1.67- is bonded in a 9-coordinate geometry to eight equivalent K1+ and one Ca2+ atom. In the second Te+1.67- site, Te+1.67- is bonded in a 10-coordinate geometry to eight equivalent K1+ and two equivalent Te+1.67- atoms. Both Te–Te bond lengths are 3.16 Å.

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36 MATERIALS SCIENCECa-K-Tecrystal structureK8CaTe6

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2020-05-02. Materials Data on K8CaTe6 by Materials Project. https://doi.org/10.17188/1690922

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