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DOE OSTI · 1263491

Materials Data on GaAgS2 by Materials Project

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Abstract

AgGaS2 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 GaS4 tetrahedra. All Ag–S bond lengths are 2.57 Å. Ga3+ is bonded to four equivalent S2- atoms to form GaS4 tetrahedra that share corners with four equivalent GaS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Ga–S bond lengths are 2.32 Å. S2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SGa2Ag2 tetrahedra.

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36 MATERIALS SCIENCEAg-Ga-Scrystal structureGaAgS2

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2020-07-15. Materials Data on GaAgS2 by Materials Project. https://doi.org/10.17188/1263491

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