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DOE OSTI · 1355228

Materials Data on In2AgSe4 by Materials Project

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Abstract

AgIn2Se4 crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag2+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with eight InSe4 tetrahedra. All Ag–Se bond lengths are 2.64 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. In the second In3+ site, In3+ is bonded to four equivalent Se2- atoms to form InSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with four equivalent InSe4 tetrahedra. All In–Se bond lengths are 2.64 Å. Se2- is bonded in a trigonal non-coplanar geometry to one Ag2+ and two In3+ atoms.

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36 MATERIALS SCIENCEAg-In-Secrystal structureIn2AgSe4

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2020-07-20. Materials Data on In2AgSe4 by Materials Project. https://doi.org/10.17188/1355228

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