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SbI3 is Bismuth triodide structured and crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three SbI3 sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to six equivalent I1- atoms to form edge-sharing SbI6 octahedra. There are three shorter (3.03 Å) and three longer (3.09 Å) Sb–I bond lengths. I1- is bonded in an L-shaped geometry to two equivalent Sb3+ atoms.
SbI3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SbI3 sheet oriented in the (1, 0, 0) direction. Sb3+ is bonded to five I1- atoms to form a mixture of distorted edge and corner-sharing SbI5 square pyramids. There are a spread of Sb–I bond distances ranging from 2.81–3.52 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Sb3+ atoms. In the second I1- site, I1- is bonded in a distorted water-like geometry to two equivalent Sb3+ atoms. In the third I1- site, I1- is bonded in a single-bond geometry to one Sb3+ atom.
SbI3(BrCl3)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one SbI3(BrCl3)2 ribbon oriented in the (0, 1, 1) direction. Sb5+ is bonded to six Cl1- atoms to form SbCl6 octahedra that share edges with two equivalent II2Cl4 octahedra. There are a spread of Sb–Cl bond distances ranging from 2.38–2.49 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to one I1-, one Br2+, and one Cl1- atom. The I–I bond length is 2.94 Å. The I–Br bond length is 2.54 Å. The I–Cl bond length is 2.91 Å. In the second I1- site, I1- is bonded to two equivalent I1- and four Cl1- atoms to form distorted II2Cl4 octahedra that share edges with two equivalent SbCl6 octahedra. There are two shorter (4.17 Å) and two longer (4.28 Å) I–Cl bond lengths. Br2+ is bonded in a single-bond geometry to one I1- atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted water-like geometry to one Sb5+ and two I1- atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one I1- atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ atom.