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DOE OSTI · 1732310

Materials Data on Na2PrCuCl6 by Materials Project

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Abstract

(Na)2PrCuCl6 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 PrCuCl6 framework. In the PrCuCl6 framework, Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent PrCl6 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 Pr3+ and one Cu1+ atom.

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36 MATERIALS SCIENCECl-Cu-Na-Prcrystal structureNa2PrCuCl6

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2020-05-03. Materials Data on Na2PrCuCl6 by Materials Project. https://doi.org/10.17188/1732310

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