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DOE OSTI · 1195704

Materials Data on InAgSe2 by Materials Project

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Abstract

AgInSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent InSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent InSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All In–Se bond lengths are 2.65 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form corner-sharing SeIn2Ag2 tetrahedra.

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36 MATERIALS SCIENCEAg-In-Secrystal structureInAgSe2

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2020-07-15. Materials Data on InAgSe2 by Materials Project. https://doi.org/10.17188/1195704

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