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DOE OSTI · 1656244

Materials Data on Ge2TeSe by Materials Project

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Abstract

Ge2TeSe is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ge2+ is bonded to three equivalent Te2- and three equivalent Se2- atoms to form a mixture of corner and edge-sharing GeTe3Se3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ge–Te bond lengths are 2.97 Å. All Ge–Se bond lengths are 2.86 Å. Te2- is bonded to six equivalent Ge2+ atoms to form TeGe6 octahedra that share corners with six equivalent SeGe6 octahedra, edges with six equivalent TeGe6 octahedra, and edges with six equivalent SeGe6 octahedra. The corner-sharing octahedral tilt angles are 3°. Se2- is bonded to six equivalent Ge2+ atoms to form SeGe6 octahedra that share corners with six equivalent TeGe6 octahedra, edges with six equivalent TeGe6 octahedra, and edges with six equivalent SeGe6 octahedra. The corner-sharing octahedral tilt angles are 3°.

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36 MATERIALS SCIENCEcrystal structureGe-Se-TeGe2TeSe

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2020-07-24. Materials Data on Ge2TeSe by Materials Project. https://doi.org/10.17188/1656244

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