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DOE OSTI · 1746294

Materials Data on Na3ErCl6 by Materials Project

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Abstract

(Na)2NaErCl6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight natrium molecules and one NaErCl6 framework. In the NaErCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent ErCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Er3+ is bonded to six equivalent Cl1- atoms to form ErCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Er–Cl bond lengths are 2.59 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Er3+ atom.

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36 MATERIALS SCIENCECl-Er-Nacrystal structureNa3ErCl6

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2020-05-02. Materials Data on Na3ErCl6 by Materials Project. https://doi.org/10.17188/1746294

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