Ag3SI crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent I(1) atoms. S(1) is bonded to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. I(1) is bonded in a distorted hexagonal planar geometry to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms.
Ag3SI crystallizes in the orthorhombic Fmm2 space group. There are four inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. Both Ag(1)-S(1) bond lengths are 2.53 Å. Both Ag(1)-I(1) bond lengths are 3.19 Å. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. There is one shorter (2.54 Å) and one longer (2.63 Å) Ag(2)-S(1) bond length. Both Ag(2)-I(1) bond lengths are 3.15 Å. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. Both Ag(3)-S(1) bond lengths are 2.56 Å. Both Ag(3)-I(1) bond lengths are 3.21 Å. In the fourth Ag site, Ag(4) is bonded in a distorted see-saw-like geometry to two equivalent S(1) and two equivalent I(1) atoms. Both Ag(4)-S(1) bond lengths are 2.55 Å. Both Ag(4)-I(1) bond lengths are 3.11 Å. S(1) is bonded to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms to form corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 21-31°. I(1) is bonded in a distorted hexagonal planar geometry to one Ag(3), one Ag(4), two equivalent Ag(1), and two equivalent Ag(2) atoms.