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DOE OSTI · 1723347

Materials Data on In2Te5 by Materials Project

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Abstract

In2Te5 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of six In2Te5 sheets oriented in the (0, 0, 1) direction. there are two inequivalent In2+ sites. In the first In2+ site, In2+ is bonded to four Te+0.80- atoms to form a mixture of edge and corner-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.78–2.91 Å. In the second In2+ site, In2+ is bonded to four Te+0.80- atoms to form a mixture of edge and corner-sharing InTe4 tetrahedra. There are a spread of In–Te bond distances ranging from 2.78–2.93 Å. There are five inequivalent Te+0.80- sites. In the first Te+0.80- site, Te+0.80- is bonded in a distorted single-bond geometry to one In2+ and two equivalent Te+0.80- atoms. There are one shorter (2.95 Å) and one longer (3.22 Å) Te–Te bond lengths. In the second Te+0.80- site, Te+0.80- is bonded in a rectangular see-saw-like geometry to four Te+0.80- atoms. There are one shorter (2.94 Å) and one longer (3.21 Å) Te–Te bond lengths. In the third Te+0.80- site, Te+0.80- is bonded in a distorted single-bond geometry to one In2+ and two equivalent Te+0.80- atoms. In the fourth Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to three In2+ atoms. In the fifth Te+0.80- site, Te+0.80- is bonded in a 3-coordinate geometry to three In2+ atoms.

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36 MATERIALS SCIENCEcrystal structureIn-TeIn2Te5

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2020-04-30. Materials Data on In2Te5 by Materials Project. https://doi.org/10.17188/1723347

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36 MATERIALS SCIENCE↗