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DOE OSTI · 1731982

Materials Data on In2Te3 by Materials Project

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Abstract

In2Te3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one In2Te3 sheet oriented in the (0, 0, 1) direction. there are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are three shorter (2.92 Å) and one longer (2.98 Å) In–Te bond lengths. In the second In3+ site, In3+ is bonded to four Te2- atoms to form corner-sharing InTe4 tetrahedra. There are one shorter (2.70 Å) and three longer (2.99 Å) In–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to four In3+ atoms to form corner-sharing TeIn4 tetrahedra. In the second Te2- site, Te2- is bonded in a single-bond geometry to one In3+ atom. In the third Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent In3+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-TeIn2Te3

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2020-05-03. Materials Data on In2Te3 by Materials Project. https://doi.org/10.17188/1731982

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