AgInS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1) and three equivalent S(2) atoms. In(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing InS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent In(1) atoms to form distorted corner-sharing SIn3Ag trigonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent In(1) atoms.
AgInS2 is Ilmenite-like structured and crystallizes in the trigonal R3m space group. Ag(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1) and three equivalent S(2) atoms. The Ag(1)-S(1) bond length is 2.45 Å. All Ag(1)-S(2) bond lengths are 2.73 Å. In(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing InS6 octahedra. All In(1)-S(1) bond lengths are 2.61 Å. All In(1)-S(2) bond lengths are 2.74 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent In(1) atoms to form distorted corner-sharing SIn3Ag trigonal pyramids. In the second S site, S(2) is bonded in a 6-coordinate geometry to three equivalent Ag(1) and three equivalent In(1) atoms.