AgCuIn2S4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. In the second In site, In(2) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. S(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SIn2CuAg tetrahedra.
AgCuIn2S4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent S(1) atoms to form AgS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. All Ag(1)-S(1) bond lengths are 2.56 Å. Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent In(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.34 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(2)S4 tetrahedra. All In(1)-S(1) bond lengths are 2.51 Å. In the second In site, In(2) is bonded to four equivalent S(1) atoms to form InS4 tetrahedra that share corners with four equivalent Ag(1)S4 tetrahedra, corners with four equivalent Cu(1)S4 tetrahedra, and corners with four equivalent In(1)S4 tetrahedra. All In(2)-S(1) bond lengths are 2.52 Å. S(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SIn2CuAg tetrahedra.