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DOE OSTI · 1699796

Materials Data on K2HgS4 by Materials Project

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Abstract

K2HgS4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven S1- atoms. There are a spread of K–S bond distances ranging from 3.09–3.53 Å. Hg2+ is bonded in a distorted linear geometry to four S1- atoms. There are two shorter (2.46 Å) and two longer (3.40 Å) Hg–S bond lengths. There are two inequivalent S1- sites. In the first S1- site, S1- is bonded in a 6-coordinate geometry to four equivalent K1+, one Hg2+, and one S1- atom. The S–S bond length is 2.09 Å. In the second S1- site, S1- is bonded in a 1-coordinate geometry to three equivalent K1+, one Hg2+, and one S1- atom.

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36 MATERIALS SCIENCEcrystal structureHg-K-SK2HgS4

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2020-05-02. Materials Data on K2HgS4 by Materials Project. https://doi.org/10.17188/1699796

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