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DOE OSTI · 1742676

Materials Data on CsSrCl3 by Materials Project

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Abstract

CsSrCl3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to eight Cl1- atoms. There are four shorter (3.86 Å) and four longer (4.04 Å) Cs–Cl bond lengths. Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–11°. All Sr–Cl bond lengths are 2.87 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Cs1+ and two equivalent Sr2+ atoms.

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36 MATERIALS SCIENCECl-Cs-Srcrystal structureCsSrCl3

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2020-05-02. Materials Data on CsSrCl3 by Materials Project. https://doi.org/10.17188/1742676

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