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DOE OSTI · 1282550

Materials Data on CsHgCl3 by Materials Project

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Abstract

CsHgCl3 crystallizes in the tetragonal P-42_1m space group. The structure is three-dimensional. Cs1+ is bonded in a 4-coordinate geometry to eight Cl1- atoms. There are four shorter (3.26 Å) and four longer (4.02 Å) Cs–Cl bond lengths. Hg2+ is bonded to five Cl1- atoms to form corner-sharing HgCl5 trigonal bipyramids. There are a spread of Hg–Cl bond distances ranging from 2.39–3.06 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Cs1+ and one Hg2+ atom to form a mixture of corner and edge-sharing ClCs4Hg square pyramids. In the second Cl1- site, Cl1- is bonded in a 1-coordinate geometry to two equivalent Cs1+ and two equivalent Hg2+ atoms.

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36 MATERIALS SCIENCECl-Cs-Hgcrystal structureCsHgCl3

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2020-07-22. Materials Data on CsHgCl3 by Materials Project. https://doi.org/10.17188/1282550

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36 MATERIALS SCIENCE↗