Ag3SBr is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted T-shaped geometry to two equivalent S(1), one Br(1), and one Br(2) atom. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to two equivalent S(1), one Br(1), and one Br(2) atom. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(2) atoms. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Ag(2) atoms. In the second Br site, Br(2) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), and four equivalent Ag(3) atoms.
Ag3SBr is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Cmcm space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted T-shaped geometry to two equivalent S(1), one Br(1), and one Br(2) atom. Both Ag(1)-S(1) bond lengths are 2.51 Å. The Ag(1)-Br(1) bond length is 2.90 Å. The Ag(1)-Br(2) bond length is 3.37 Å. In the second Ag site, Ag(2) is bonded in a 2-coordinate geometry to two equivalent S(1), one Br(1), and one Br(2) atom. Both Ag(2)-S(1) bond lengths are 2.50 Å. The Ag(2)-Br(1) bond length is 3.17 Å. The Ag(2)-Br(2) bond length is 3.32 Å. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent Br(2) atoms. Both Ag(3)-S(1) bond lengths are 2.48 Å. Both Ag(3)-Br(2) bond lengths are 3.24 Å. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 10-19°. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 4-coordinate geometry to two equivalent Ag(1) and two equivalent Ag(2) atoms. In the second Br site, Br(2) is bonded in a 8-coordinate geometry to two equivalent Ag(1), two equivalent Ag(2), and four equivalent Ag(3) atoms.