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DOE OSTI · 1272796

Materials Data on AlAgS2 by Materials Project

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Abstract

AgAlS2 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 AlS4 tetrahedra. All Ag–S bond lengths are 2.58 Å. Al3+ is bonded to four equivalent S2- atoms to form AlS4 tetrahedra that share corners with four equivalent AlS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. All Al–S bond lengths are 2.28 Å. S2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SAl2Ag2 tetrahedra.

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36 MATERIALS SCIENCEAg-Al-SAlAgS2crystal structure

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2020-07-16. Materials Data on AlAgS2 by Materials Project. https://doi.org/10.17188/1272796

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