Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-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 3-coordinate geometry to two equivalent S(1) and one I(1) atom. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 13-39°. I(1) is bonded in a 5-coordinate geometry to one Ag(3), two equivalent Ag(1), and two equivalent Ag(2) atoms.
Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a 2-coordinate geometry to two equivalent S(1) and two equivalent I(1) atoms. There is one shorter (2.57 Å) and one longer (2.59 Å) Ag(1)-S(1) bond length. There is one shorter (3.28 Å) and one longer (3.40 Å) Ag(1)-I(1) bond length. 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. Both Ag(2)-S(1) bond lengths are 2.61 Å. There is one shorter (2.98 Å) and one longer (3.13 Å) Ag(2)-I(1) bond length. In the third Ag site, Ag(3) is bonded in a 3-coordinate geometry to two equivalent S(1) and one I(1) atom. There is one shorter (2.54 Å) and one longer (2.56 Å) Ag(3)-S(1) bond length. The Ag(3)-I(1) bond length is 2.98 Å. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form distorted corner-sharing SAg6 octahedra. The corner-sharing octahedral tilt angles range from 13-39°. I(1) is bonded in a 5-coordinate geometry to one Ag(3), two equivalent Ag(1), and two equivalent Ag(2) atoms.