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DOE OSTI · 1269583

Materials Data on Ag2HgSI2 by Materials Project

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Abstract

Ag2HgSI2 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to one S2- and three equivalent I1- atoms to form corner-sharing AgSI3 tetrahedra. The Ag–S bond length is 2.60 Å. There are a spread of Ag–I bond distances ranging from 2.85–2.93 Å. Hg2+ is bonded in a distorted linear geometry to two equivalent S2- atoms. There are one shorter (2.41 Å) and one longer (2.42 Å) Hg–S bond lengths. S2- is bonded to two equivalent Ag1+ and two equivalent Hg2+ atoms to form corner-sharing SAg2Hg2 trigonal pyramids. I1- is bonded in a 3-coordinate geometry to three equivalent Ag1+ atoms.

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36 MATERIALS SCIENCEAg-Hg-I-SAg2HgSI2crystal structure

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2020-07-17. Materials Data on Ag2HgSI2 by Materials Project. https://doi.org/10.17188/1269583

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