Materials Data on GaAgTeSe by Materials Project

Abstract

AgGaTeSe is Stannite-like structured and crystallizes in the orthorhombic I2_12_12_1 space group. The structure is three-dimensional. Ag1+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form AgTe2Se2 tetrahedra that share corners with four equivalent AgTe2Se2 tetrahedra and corners with eight equivalent GaTe2Se2 tetrahedra. Both Ag–Te bond lengths are 2.75 Å. Both Ag–Se bond lengths are 2.74 Å. Ga3+ is bonded to two equivalent Te2- and two equivalent Se2- atoms to form GaTe2Se2 tetrahedra that share corners with four equivalent GaTe2Se2 tetrahedra and corners with eight equivalent AgTe2Se2 tetrahedra. Both Ga–Te bond lengths are 2.65 Å. Both Ga–Se bond lengths are 2.48 Å. Te2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form TeGa2Ag2 tetrahedra that share corners with four equivalent TeGa2Ag2 tetrahedra and corners with eight equivalent SeGa2Ag2 tetrahedra. Se2- is bonded to two equivalent Ag1+ and two equivalent Ga3+ atoms to form SeGa2Ag2 tetrahedra that share corners with four equivalent SeGa2Ag2 tetrahedra and corners with eight equivalent TeGa2Ag2 tetrahedra.