AgIn2S3Br is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to three equivalent S(1) and one Br(1) atom to form distorted AgS3Br trigonal pyramids that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent In(2)S4Br2 octahedra. The corner-sharing octahedral tilt angles range from 42-68°. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ag(1)S3Br trigonal pyramids and edges with six equivalent In(2)S4Br2 octahedra. In the second In site, In(2) is bonded to four equivalent S(1) and two equivalent Br(1) atoms to form InS4Br2 octahedra that share corners with six equivalent Ag(1)S3Br trigonal pyramids, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent In(2)S4Br2 octahedra. S(1) is bonded to one Ag(1), one In(1), and two equivalent In(2) atoms to form a mixture of corner and edge-sharing SIn3Ag tetrahedra. Br(1) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent In(2) atoms.
AgIn2S3Br is Spinel-derived structured and crystallizes in the trigonal R-3m space group. Ag(1) is bonded to three equivalent S(1) and one Br(1) atom to form distorted AgS3Br trigonal pyramids that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent In(2)S4Br2 octahedra. The corner-sharing octahedral tilt angles range from 42-68°. All Ag(1)-S(1) bond lengths are 2.52 Å. The Ag(1)-Br(1) bond length is 3.00 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to six equivalent S(1) atoms to form InS6 octahedra that share corners with six equivalent Ag(1)S3Br trigonal pyramids and edges with six equivalent In(2)S4Br2 octahedra. All In(1)-S(1) bond lengths are 2.69 Å. In the second In site, In(2) is bonded to four equivalent S(1) and two equivalent Br(1) atoms to form InS4Br2 octahedra that share corners with six equivalent Ag(1)S3Br trigonal pyramids, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent In(2)S4Br2 octahedra. All In(2)-S(1) bond lengths are 2.61 Å. Both In(2)-Br(1) bond lengths are 2.91 Å. S(1) is bonded to one Ag(1), one In(1), and two equivalent In(2) atoms to form a mixture of corner and edge-sharing SIn3Ag tetrahedra. Br(1) is bonded in a rectangular see-saw-like geometry to one Ag(1) and three equivalent In(2) atoms.