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DOE OSTI · 1697008

Materials Data on InGeTe2 by Materials Project

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Abstract

InGeTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. In1+ is bonded to six equivalent Te2- atoms to form InTe6 octahedra that share corners with six equivalent GeTe6 octahedra, edges with six equivalent InTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All In–Te bond lengths are 3.13 Å. Ge3+ is bonded to six equivalent Te2- atoms to form GeTe6 octahedra that share corners with six equivalent InTe6 octahedra, edges with six equivalent InTe6 octahedra, and edges with six equivalent GeTe6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ge–Te bond lengths are 3.02 Å. Te2- is bonded to three equivalent In1+ and three equivalent Ge3+ atoms to form a mixture of edge and corner-sharing TeIn3Ge3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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36 MATERIALS SCIENCEcrystal structureGe-In-TeInGeTe2

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2020-05-02. Materials Data on InGeTe2 by Materials Project. https://doi.org/10.17188/1697008

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