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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SnCl2 by Materials Project

SnCl2 is Cotunnite structured and crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four SnCl2 ribbons oriented in the (0, 1, 0) direction. Sn2+ is bonded to five Cl1- atoms to form distorted edge-sharing SnCl5 square pyramids. There are a spread of Sn–Cl bond distances ranging from 2.63–3.13 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCl4 by Materials Project

SnCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin tetrachloride molecules. Sn4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Sn–Cl bond lengths are 2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCl2 by Materials Project

SnCl2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of two SnCl2 ribbons oriented in the (1, 0, 0) direction. Sn2+ is bonded to five Cl1- atoms to form distorted edge-sharing SnCl5 square pyramids. There are a spread of Sn–Cl bond distances ranging from 2.63–3.04 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent Sn2+ atoms. In the second Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCl by Materials Project

SnCl crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sn is bonded in a distorted single-bond geometry to four equivalent Cl atoms. There are one shorter (2.68 Å) and three longer (3.10 Å) Sn–Cl bond lengths. Cl is bonded in a distorted single-bond geometry to four equivalent Sn atoms.

36 MATERIALS SCIENCE↗