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DOE OSTI · 1733420

Materials Data on K2YHgI6 by Materials Project

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Abstract

(K)2YHgI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YHgI6 framework. In the YHgI6 framework, Y3+ is bonded to six equivalent I1- atoms to form YI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–I bond lengths are 3.02 Å. Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent YI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.20 Å. I1- is bonded in a linear geometry to one Y3+ and one Hg1+ atom.

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36 MATERIALS SCIENCEcrystal structureHg-I-K-YK2YHgI6

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2020-05-02. Materials Data on K2YHgI6 by Materials Project. https://doi.org/10.17188/1733420

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