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DOE OSTI · 1687415

Materials Data on Na3GdCl6 by Materials Project

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Abstract

Na3GdCl6 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 NaGdCl6 framework. In the NaGdCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent GdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.70 Å. Gd3+ is bonded to six equivalent Cl1- atoms to form GdCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Gd–Cl bond lengths are 2.65 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Gd3+ atom.

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36 MATERIALS SCIENCECl-Gd-Nacrystal structureNa3GdCl6

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2020-05-02. Materials Data on Na3GdCl6 by Materials Project. https://doi.org/10.17188/1687415

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