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DOE OSTI2020

Materials Data on SCl2 by Materials Project

SCl2 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of eight sulfur dichloride molecules. S2+ is bonded in a water-like geometry to two Cl1- atoms. There are one shorter (2.03 Å) and one longer (2.06 Å) S–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one S2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on S3Cl by Materials Project

(S)6Cl2 crystallizes in the hexagonal P6_3/mmc space group. The structure is one-dimensional and consists of six hydrogen sulfide molecules and two Cl2 ribbons oriented in the (0, 0, 1) direction. In each Cl2 ribbon, Cl1- is bonded in a linear geometry to two equivalent Cl1- atoms. Both Cl–Cl bond lengths are 2.94 Å.

36 MATERIALS SCIENCE↗