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DOE OSTI · 1698728

Materials Data on CsEuCl3 by Materials Project

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Abstract

CsEuCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Cs–Cl bond distances ranging from 3.50–3.90 Å. Eu2+ is bonded to six Cl1- atoms to form corner-sharing EuCl6 octahedra. The corner-sharing octahedra tilt angles range from 26–27°. There are two shorter (2.87 Å) and four longer (2.92 Å) Eu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the second Cl1- site, Cl1- is bonded to two equivalent Cs1+ and two equivalent Eu2+ atoms to form distorted corner-sharing ClCs2Eu2 tetrahedra.

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36 MATERIALS SCIENCECl-Cs-Eucrystal structureCsEuCl3

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2020-04-30. Materials Data on CsEuCl3 by Materials Project. https://doi.org/10.17188/1698728

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