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DOE OSTI · 1687497

Materials Data on In2TeAs by Materials Project

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Abstract

In2AsTe is Enargite-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent In+2.50+ sites. In the first In+2.50+ site, In+2.50+ is bonded to one As3- and three equivalent Te2- atoms to form corner-sharing InTe3As tetrahedra. The In–As bond length is 2.71 Å. All In–Te bond lengths are 2.97 Å. In the second In+2.50+ site, In+2.50+ is bonded to three equivalent As3- and one Te2- atom to form corner-sharing InTeAs3 tetrahedra. All In–As bond lengths are 2.77 Å. The In–Te bond length is 3.08 Å. As3- is bonded to four In+2.50+ atoms to form AsIn4 tetrahedra that share corners with six equivalent AsIn4 tetrahedra and corners with six equivalent TeIn4 tetrahedra. Te2- is bonded to four In+2.50+ atoms to form TeIn4 tetrahedra that share corners with six equivalent AsIn4 tetrahedra and corners with six equivalent TeIn4 tetrahedra.

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36 MATERIALS SCIENCEAs-In-Tecrystal structureIn2TeAs

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2020-05-03. Materials Data on In2TeAs by Materials Project. https://doi.org/10.17188/1687497

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