AgCuIn2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. In the second In site, In(2) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. Se(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SeIn2CuAg tetrahedra.
AgCuIn2Se4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. Ag(1) is bonded to four equivalent Se(1) atoms to form AgSe4 tetrahedra that share corners with four equivalent Cu(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. All Ag(1)-Se(1) bond lengths are 2.66 Å. Cu(1) is bonded to four equivalent Se(1) atoms to form CuSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent In(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.46 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(2)Se4 tetrahedra. All In(1)-Se(1) bond lengths are 2.65 Å. In the second In site, In(2) is bonded to four equivalent Se(1) atoms to form InSe4 tetrahedra that share corners with four equivalent Ag(1)Se4 tetrahedra, corners with four equivalent Cu(1)Se4 tetrahedra, and corners with four equivalent In(1)Se4 tetrahedra. All In(2)-Se(1) bond lengths are 2.66 Å. Se(1) is bonded to one Ag(1), one Cu(1), one In(1), and one In(2) atom to form corner-sharing SeIn2CuAg tetrahedra.