Materials Data on Ga2Ag2TeSe3 by Materials Project
Ag2Ga2TeSe3 is Stannite-like structured and crystallizes in the monoclinic C2 space group. The structure is three-dimensional. Ag1+ is bonded to one Te2- and three Se2- atoms to form AgTeSe3 tetrahedra that share corners with four equivalent AgTeSe3 tetrahedra and corners with eight equivalent GaTeSe3 tetrahedra. The Ag–Te bond length is 2.75 Å. There are a spread of Ag–Se bond distances ranging from 2.67–2.71 Å. Ga3+ is bonded to one Te2- and three Se2- atoms to form GaTeSe3 tetrahedra that share corners with four equivalent GaTeSe3 tetrahedra and corners with eight equivalent AgTeSe3 tetrahedra. The Ga–Te bond length is 2.64 Å. There are two shorter (2.47 Å) and one longer (2.48 Å) Ga–Se bond lengths. Te2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form TeGa2Ag2 tetrahedra that share corners with twelve SeGa2Ag2 tetrahedra. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent TeGa2Ag2 tetrahedra and corners with eight equivalent SeGa2Ag2 tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent TeGa2Ag2 tetrahedra and corners with eight SeGa2Ag2 tetrahedra.