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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GaAgSe2 by Materials Project

AgGaSe2 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 GaSe4 tetrahedra. All Ag–Se bond lengths are 2.67 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Ga–Se bond lengths are 2.46 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaAgSe2 by Materials Project

AgGaSe2 is Enargite-like structured and crystallizes in the tetragonal P-4m2 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 GaSe4 tetrahedra. All Ag–Se bond lengths are 2.65 Å. Ga3+ is bonded to four equivalent Se2- atoms to form GaSe4 tetrahedra that share corners with four equivalent GaSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Ga–Se bond lengths are 2.48 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form corner-sharing SeGa2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗