AgAlS2 is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. Ag(1) is bonded in a 4-coordinate geometry to one S(1) and three equivalent S(2) atoms. Al(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing AlS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent Al(1) atoms to form distorted SAl3Ag trigonal pyramids that share corners with six equivalent S(2)Al3Ag3 octahedra, corners with six equivalent S(1)Al3Ag trigonal pyramids, and edges with three equivalent S(2)Al3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. In the second S site, S(2) is bonded to three equivalent Ag(1) and three equivalent Al(1) atoms to form SAl3Ag3 octahedra that share corners with six equivalent S(1)Al3Ag trigonal pyramids, edges with six equivalent S(2)Al3Ag3 octahedra, and edges with three equivalent S(1)Al3Ag trigonal pyramids.
AgAlS2 is Ilmenite-like structured and crystallizes in the trigonal P3m1 space group. Ag(1) is bonded in a 4-coordinate 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. Al(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing AlS6 octahedra. All Al(1)-S(1) bond lengths are 2.39 Å. All Al(1)-S(2) bond lengths are 2.48 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Ag(1) and three equivalent Al(1) atoms to form distorted SAl3Ag trigonal pyramids that share corners with six equivalent S(2)Al3Ag3 octahedra, corners with six equivalent S(1)Al3Ag trigonal pyramids, and edges with three equivalent S(2)Al3Ag3 octahedra. The corner-sharing octahedral tilt angles range from 3-49°. In the second S site, S(2) is bonded to three equivalent Ag(1) and three equivalent Al(1) atoms to form SAl3Ag3 octahedra that share corners with six equivalent S(1)Al3Ag trigonal pyramids, edges with six equivalent S(2)Al3Ag3 octahedra, and edges with three equivalent S(1)Al3Ag trigonal pyramids.