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DOE OSTI · 1678468

Materials Data on Na2LuAgCl6 by Materials Project

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Abstract

(Na)2LuAgCl6 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 LuAgCl6 framework. In the LuAgCl6 framework, Lu3+ is bonded to six equivalent Cl1- atoms to form LuCl6 octahedra that share corners with six equivalent AgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Lu–Cl bond lengths are 2.56 Å. Ag1+ is bonded to six equivalent Cl1- atoms to form AgCl6 octahedra that share corners with six equivalent LuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Cl bond lengths are 2.70 Å. Cl1- is bonded in a linear geometry to one Lu3+ and one Ag1+ atom.

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36 MATERIALS SCIENCEAg-Cl-Lu-Nacrystal structureNa2LuAgCl6

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2020-05-02. Materials Data on Na2LuAgCl6 by Materials Project. https://doi.org/10.17188/1678468

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