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DOE OSTI · 1736591

Materials Data on Na2LiPrCl6 by Materials Project

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Abstract

(Na)2LiPrCl6 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 LiPrCl6 framework. In the LiPrCl6 framework, Li1+ is bonded to six equivalent Cl1- atoms to form LiCl6 octahedra that share corners with six equivalent PrCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Cl bond lengths are 2.53 Å. Pr3+ is bonded to six equivalent Cl1- atoms to form PrCl6 octahedra that share corners with six equivalent LiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Pr–Cl bond lengths are 2.73 Å. Cl1- is bonded in a linear geometry to one Li1+ and one Pr3+ atom.

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36 MATERIALS SCIENCECl-Li-Na-Prcrystal structureNa2LiPrCl6

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2020-05-03. Materials Data on Na2LiPrCl6 by Materials Project. https://doi.org/10.17188/1736591

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