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Materials Data on SnI4 by Materials Project

SnI4 is Iron carbide-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight stannic iodide molecules. Sn4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.70 Å) and three longer (2.71 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Sn4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SnI2 by Materials Project

SnI2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one SnI2 sheet oriented in the (2, 0, 1) direction. there are two inequivalent Sn2+ sites. In the first Sn2+ site, Sn2+ is bonded to six I1- atoms to form SnI6 octahedra that share corners with four equivalent SnI5 square pyramids and edges with two equivalent SnI6 octahedra. There are four shorter (3.19 Å) and two longer (3.26 Å) Sn–I bond lengths. In the second Sn2+ site, Sn2+ is bonded to five I1- atoms to form SnI5 square pyramids that share corners with two equivalent SnI6 octahedra and edges with four equivalent SnI5 square pyramids. The corner-sharing octahedral tilt angles are 64°. There are a spread of Sn–I bond distances ranging from 3.04–3.27 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a trigonal non-coplanar geometry to three Sn2+ atoms. In the second I1- site, I1- is bonded in a 3-coordinate geometry to three equivalent Sn2+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnI4 by Materials Project

SnI4 is Iron carbide structured and crystallizes in the cubic P-43m space group. The structure is zero-dimensional and consists of one stannic iodide molecule. Sn4+ is bonded in a tetrahedral geometry to four equivalent I1- atoms. All Sn–I bond lengths are 2.71 Å. I1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗

Materials Data on SnI3 by Materials Project

SnI3 is alpha Rhenium trioxide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn3+ is bonded to six equivalent I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–I bond lengths are 3.01 Å. I1- is bonded in a linear geometry to two equivalent Sn3+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnI3 by Materials Project

SnI3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sn3+ is bonded to six I1- atoms to form corner-sharing SnI6 octahedra. The corner-sharing octahedra tilt angles range from 0–33°. There are two shorter (2.98 Å) and four longer (3.05 Å) Sn–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a linear geometry to two equivalent Sn3+ atoms. In the second I1- site, I1- is bonded in a bent 150 degrees geometry to two equivalent Sn3+ atoms.

36 MATERIALS SCIENCE↗