Materials Data on InAgSeS by Materials Project
AgIn(S0.5Se0.5)2 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 Se2- and two equivalent S2- atoms to form AgSe2S2 tetrahedra that share corners with four equivalent AgSe2S2 tetrahedra and corners with eight equivalent InSe2S2 tetrahedra. Both Ag–Se bond lengths are 2.68 Å. Both Ag–S bond lengths are 2.60 Å. In3+ is bonded to two equivalent Se2- and two equivalent S2- atoms to form InSe2S2 tetrahedra that share corners with four equivalent InSe2S2 tetrahedra and corners with eight equivalent AgSe2S2 tetrahedra. Both In–Se bond lengths are 2.63 Å. Both In–S bond lengths are 2.53 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form SeIn2Ag2 tetrahedra that share corners with four equivalent SeIn2Ag2 tetrahedra and corners with eight equivalent SIn2Ag2 tetrahedra. S2- is bonded to two equivalent Ag1+ and two equivalent In3+ atoms to form SIn2Ag2 tetrahedra that share corners with four equivalent SIn2Ag2 tetrahedra and corners with eight equivalent SeIn2Ag2 tetrahedra.