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DOE OSTI · 1191824

Materials Data on Ga2HgTe4 by Materials Project

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Abstract

HgGa2Te4 is Chalcostibite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Hg2+ is bonded to four equivalent Te2- atoms to form HgTe4 tetrahedra that share corners with eight GaTe4 tetrahedra. All Hg–Te bond lengths are 2.88 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent HgTe4 tetrahedra and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.68 Å. Te2- is bonded in a distorted trigonal non-coplanar geometry to one Hg2+ and two Ga3+ atoms.

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36 MATERIALS SCIENCEcrystal structureGa-Hg-TeGa2HgTe4

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2020-07-16. Materials Data on Ga2HgTe4 by Materials Project. https://doi.org/10.17188/1191824

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