Ag6S2IBr crystallizes in the orthorhombic Fmm2 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear 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), one I(1), and one Br(1) atom. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1), one I(1), and one Br(1) atom. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form SAg6 octahedra that share corners with six equivalent S(1)Ag6 octahedra and corners with four equivalent Br(1)Ag4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-38°. I(1) is bonded in a 8-coordinate geometry to two equivalent Ag(2), two equivalent Ag(3), and four equivalent Ag(1) atoms. Br(1) is bonded to two equivalent Ag(2) and two equivalent Ag(3) atoms to form distorted BrAg4 tetrahedra that share corners with eight equivalent S(1)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 76-81°.
Ag6S2IBr crystallizes in the orthorhombic Fmm2 space group. There are three inequivalent Ag sites. In the first Ag site, Ag(1) is bonded in a distorted linear geometry to two equivalent S(1) and two equivalent I(1) atoms. There is one shorter (2.49 Å) and one longer (2.54 Å) Ag(1)-S(1) bond length. Both Ag(1)-I(1) bond lengths are 3.47 Å. In the second Ag site, Ag(2) is bonded in a 4-coordinate geometry to two equivalent S(1), one I(1), and one Br(1) atom. Both Ag(2)-S(1) bond lengths are 2.52 Å. The Ag(2)-I(1) bond length is 3.34 Å. The Ag(2)-Br(1) bond length is 3.04 Å. In the third Ag site, Ag(3) is bonded in a 4-coordinate geometry to two equivalent S(1), one I(1), and one Br(1) atom. Both Ag(3)-S(1) bond lengths are 2.56 Å. The Ag(3)-I(1) bond length is 3.14 Å. The Ag(3)-Br(1) bond length is 2.93 Å. S(1) is bonded to two equivalent Ag(1), two equivalent Ag(2), and two equivalent Ag(3) atoms to form SAg6 octahedra that share corners with six equivalent S(1)Ag6 octahedra and corners with four equivalent Br(1)Ag4 tetrahedra. The corner-sharing octahedral tilt angles range from 0-38°. I(1) is bonded in a 8-coordinate geometry to two equivalent Ag(2), two equivalent Ag(3), and four equivalent Ag(1) atoms. Br(1) is bonded to two equivalent Ag(2) and two equivalent Ag(3) atoms to form distorted BrAg4 tetrahedra that share corners with eight equivalent S(1)Ag6 octahedra. The corner-sharing octahedral tilt angles range from 76-81°.