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DOE OSTI · 1204581

Materials Data on CsSn2Cl5 by Materials Project

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Abstract

CsSn2Cl5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Cs1+ is bonded in a 10-coordinate geometry to ten Cl1- atoms. There are eight shorter (3.66 Å) and two longer (3.88 Å) Cs–Cl bond lengths. Sn2+ is bonded in a 4-coordinate geometry to four Cl1- atoms. There are two shorter (2.60 Å) and two longer (3.02 Å) Sn–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Cs1+ and four equivalent Sn2+ atoms to form distorted corner-sharing ClCs2Sn4 octahedra. The corner-sharing octahedra tilt angles range from 0–31°. In the second Cl1- site, Cl1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cs1+ and one Sn2+ atom.

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36 MATERIALS SCIENCECl-Cs-Sncrystal structureCsSn2Cl5

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2020-07-15. Materials Data on CsSn2Cl5 by Materials Project. https://doi.org/10.17188/1204581

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