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DOE OSTI · 1195027

Materials Data on InAgS2 by Materials Project

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Abstract

AgInS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AgS4 tetrahedra and corners with eight equivalent InS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. In3+ is bonded to four equivalent S2- atoms to form InS4 tetrahedra that share corners with four equivalent InS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All In–S bond lengths are 2.51 Å. S2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SIn2Ag2 tetrahedra.

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36 MATERIALS SCIENCEAg-In-Scrystal structureInAgS2

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2020-07-14. Materials Data on InAgS2 by Materials Project. https://doi.org/10.17188/1195027

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