Materials Data on Ag2GeSe3 by Materials Project

Abstract

Ag2GeSe3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with five equivalent GeSe4 tetrahedra and corners with seven equivalent AgSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.65–2.71 Å. Ge4+ is bonded to four Se2- atoms to form GeSe4 tetrahedra that share corners with two equivalent GeSe4 tetrahedra and corners with ten equivalent AgSe4 tetrahedra. There are a spread of Ge–Se bond distances ranging from 2.37–2.54 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to three equivalent Ag1+ and one Ge4+ atom to form corner-sharing SeAg3Ge tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ge4+ atoms to form corner-sharing SeAg2Ge2 tetrahedra.