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DOE OSTI · 1727578

Materials Data on Na2AgAsBr6 by Materials Project

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Abstract

(Na)2AgAsBr6 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 AgAsBr6 framework. In the AgAsBr6 framework, Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent AsBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.78 Å. As3+ is bonded to six equivalent Br1- atoms to form AsBr6 octahedra that share corners with six equivalent AgBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All As–Br bond lengths are 2.66 Å. Br1- is bonded in a linear geometry to one Ag1+ and one As3+ atom.

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36 MATERIALS SCIENCEAg-As-Br-Nacrystal structureNa2AgAsBr6

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2020-05-02. Materials Data on Na2AgAsBr6 by Materials Project. https://doi.org/10.17188/1727578

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