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DOE OSTI · 1655678

Materials Data on Na3NdCl6 by Materials Project

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Abstract

(Na)2NaNdCl6 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 NaNdCl6 framework. In the NaNdCl6 framework, Na1+ is bonded to six equivalent Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent NdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–Cl bond lengths are 2.71 Å. Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent NaCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.71 Å. Cl1- is bonded in a linear geometry to one Na1+ and one Nd3+ atom.

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36 MATERIALS SCIENCECl-Na-Ndcrystal structureNa3NdCl6

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2020-07-22. Materials Data on Na3NdCl6 by Materials Project. https://doi.org/10.17188/1655678

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DOE OSTI2026

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