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DOE OSTI · 1721821

Materials Data on Hg2TeSe by Materials Project

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Abstract

Hg2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of edge and corner-sharing HgTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Te bond lengths are 3.05 Å. All Hg–Se bond lengths are 2.93 Å. Te2- is bonded to six equivalent Hg2+ atoms to form TeHg6 octahedra that share corners with six equivalent SeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Hg2+ atoms to form SeHg6 octahedra that share corners with six equivalent TeHg6 octahedra, edges with six equivalent TeHg6 octahedra, and edges with six equivalent SeHg6 octahedra. The corner-sharing octahedral tilt angles are 3°.

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36 MATERIALS SCIENCEcrystal structureHg-Se-TeHg2TeSe

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2020-05-04. Materials Data on Hg2TeSe by Materials Project. https://doi.org/10.17188/1721821

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