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DOE OSTI · 1199119

Materials Data on K2TeBr6 by Materials Project

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Abstract

K2TeBr6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.40–3.72 Å. Te4+ is bonded in an octahedral geometry to six Br1- atoms. There are two shorter (2.74 Å) and four longer (2.75 Å) Te–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom.

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36 MATERIALS SCIENCEBr-K-Tecrystal structureK2TeBr6

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2020-07-15. Materials Data on K2TeBr6 by Materials Project. https://doi.org/10.17188/1199119

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