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DOE OSTI · 1189924

Materials Data on AlAgSe2 by Materials Project

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Abstract

AgAlSe2 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 AlSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SeAl2Ag2 tetrahedra.

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36 MATERIALS SCIENCEAg-Al-SeAlAgSe2crystal structure

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2020-07-15. Materials Data on AlAgSe2 by Materials Project. https://doi.org/10.17188/1189924

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