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DOE OSTI · 1201887

Materials Data on K2TeI6 by Materials Project

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Abstract

K2TeI6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight I1- atoms. There are a spread of K–I bond distances ranging from 3.64–4.03 Å. Te4+ is bonded in an octahedral geometry to six I1- atoms. All Te–I bond lengths are 2.98 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent K1+ and one Te4+ atom. In the second I1- site, I1- is bonded in a 4-coordinate geometry to three equivalent K1+ and one Te4+ atom. In the third I1- site, I1- is bonded in a distorted see-saw-like geometry to three equivalent K1+ and one Te4+ atom.

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36 MATERIALS SCIENCEcrystal structureI-K-TeK2TeI6

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2020-07-23. Materials Data on K2TeI6 by Materials Project. https://doi.org/10.17188/1201887

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