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DOE OSTI · 1725229

Materials Data on InHgTe2 by Materials Project

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Abstract

HgInTe2 is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Hg2+ is bonded to four Te2- atoms to form HgTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent InTe4 tetrahedra. There are three shorter (2.94 Å) and one longer (3.01 Å) Hg–Te bond lengths. In2+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with six equivalent HgTe4 tetrahedra and corners with six equivalent InTe4 tetrahedra. There are one shorter (2.94 Å) and three longer (2.98 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Hg2+ and three equivalent In2+ atoms to form corner-sharing TeIn3Hg tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Hg2+ and one In2+ atom to form corner-sharing TeInHg3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureHg-In-TeInHgTe2

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2020-05-04. Materials Data on InHgTe2 by Materials Project. https://doi.org/10.17188/1725229

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