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DOE OSTI · 1684323

Materials Data on Na2CeCuCl6 by Materials Project

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Abstract

(Na)2CeCuCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CeCuCl6 framework. In the CeCuCl6 framework, Ce3+ is bonded to six equivalent Cl1- atoms to form CeCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ce–Cl bond lengths are 2.72 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent CeCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.50 Å. Cl1- is bonded in a linear geometry to one Ce3+ and one Cu1+ atom.

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36 MATERIALS SCIENCECe-Cl-Cu-Nacrystal structureNa2CeCuCl6

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2020-05-02. Materials Data on Na2CeCuCl6 by Materials Project. https://doi.org/10.17188/1684323

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