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DOE OSTI · 1672466

Materials Data on K2HgBiI6 by Materials Project

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Abstract

(K)2HgBiI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight potassium molecules and one HgBiI6 framework. In the HgBiI6 framework, Hg1+ is bonded to six equivalent I1- atoms to form HgI6 octahedra that share corners with six equivalent BiI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–I bond lengths are 3.12 Å. Bi3+ is bonded to six equivalent I1- atoms to form BiI6 octahedra that share corners with six equivalent HgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–I bond lengths are 3.09 Å. I1- is bonded in a linear geometry to one Hg1+ and one Bi3+ atom.

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36 MATERIALS SCIENCEBi-Hg-I-Kcrystal structureK2HgBiI6

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2020-04-29. Materials Data on K2HgBiI6 by Materials Project. https://doi.org/10.17188/1672466

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36 MATERIALS SCIENCE↗