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DOE OSTI · 1759235

Materials Data on K2YHgBr6 by Materials Project

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Abstract

(K)2YHgBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one YHgBr6 framework. In the YHgBr6 framework, Y3+ is bonded to six equivalent Br1- atoms to form YBr6 octahedra that share corners with six equivalent HgBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Y–Br bond lengths are 2.79 Å. Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent YBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 3.04 Å. Br1- is bonded in a linear geometry to one Y3+ and one Hg1+ atom.

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36 MATERIALS SCIENCEBr-Hg-K-Ycrystal structureK2YHgBr6

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2020-09-03. Materials Data on K2YHgBr6 by Materials Project. https://doi.org/10.17188/1759235

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DOE OSTI2026

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