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DOE OSTI · 1737383

Materials Data on Hg2SeS by Materials Project

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Abstract

Hg2SeS is Chalcopyrite-like structured and crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. Hg2+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form corner-sharing HgSe2S2 tetrahedra. Both Hg–Se bond lengths are 2.70 Å. Both Hg–S bond lengths are 2.62 Å. Se2- is bonded to four equivalent Hg2+ atoms to form SeHg4 tetrahedra that share corners with four equivalent SeHg4 tetrahedra and corners with eight equivalent SHg4 tetrahedra. S2- is bonded to four equivalent Hg2+ atoms to form SHg4 tetrahedra that share corners with four equivalent SHg4 tetrahedra and corners with eight equivalent SeHg4 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureHg-S-SeHg2SeS

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2020-05-03. Materials Data on Hg2SeS by Materials Project. https://doi.org/10.17188/1737383

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