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DOE OSTI · 1197583

Materials Data on In2HgS4 by Materials Project

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Abstract

HgIn2S4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent S2- atoms to form HgS4 tetrahedra that share corners with twelve equivalent InS6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Hg–S bond lengths are 2.60 Å. In3+ is bonded to six equivalent S2- atoms to form InS6 octahedra that share corners with six equivalent HgS4 tetrahedra and edges with six equivalent InS6 octahedra. All In–S bond lengths are 2.65 Å. S2- is bonded to one Hg2+ and three equivalent In3+ atoms to form a mixture of distorted edge and corner-sharing SIn3Hg trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureHg-In-SIn2HgS4

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2020-07-14. Materials Data on In2HgS4 by Materials Project. https://doi.org/10.17188/1197583

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