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DOE OSTI · 1687248

Materials Data on Na2NdCuCl6 by Materials Project

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Abstract

(Na)2NdCuCl6 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 NdCuCl6 framework. In the NdCuCl6 framework, Nd3+ is bonded to six equivalent Cl1- atoms to form NdCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nd–Cl bond lengths are 2.71 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent NdCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.51 Å. Cl1- is bonded in a linear geometry to one Nd3+ and one Cu1+ atom.

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36 MATERIALS SCIENCECl-Cu-Na-Ndcrystal structureNa2NdCuCl6

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2020-05-04. Materials Data on Na2NdCuCl6 by Materials Project. https://doi.org/10.17188/1687248

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