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DOE OSTI · 1654366

Materials Data on InCuTe2 by Materials Project

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Abstract

CuInTe2 is beta beryllia-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with six equivalent CuTe4 tetrahedra and corners with six equivalent InTe4 tetrahedra. There are three shorter (2.62 Å) and one longer (2.65 Å) Cu–Te bond lengths. In3+ is bonded to four Te2- atoms to form InTe4 tetrahedra that share corners with six equivalent CuTe4 tetrahedra and corners with six equivalent InTe4 tetrahedra. There are one shorter (2.77 Å) and three longer (2.90 Å) In–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Cu1+ and three equivalent In3+ atoms to form corner-sharing TeIn3Cu tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one In3+ atom to form corner-sharing TeInCu3 tetrahedra.

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36 MATERIALS SCIENCEcrystal structureCu-In-TeInCuTe2

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2019-01-13. Materials Data on InCuTe2 by Materials Project. https://doi.org/10.17188/1654366

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