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DOE OSTI · 1734182

Materials Data on Na2InCuBr6 by Materials Project

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Abstract

(Na)2CuInBr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight sodium molecules and one CuInBr6 framework. In the CuInBr6 framework, Cu1+ is bonded to six equivalent Br1- atoms to form CuBr6 octahedra that share corners with six equivalent InBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Br bond lengths are 2.62 Å. In3+ is bonded to six equivalent Br1- atoms to form InBr6 octahedra that share corners with six equivalent CuBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Br bond lengths are 2.73 Å. Br1- is bonded in a linear geometry to one Cu1+ and one In3+ atom.

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36 MATERIALS SCIENCEBr-Cu-In-Nacrystal structureNa2InCuBr6

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2020-05-03. Materials Data on Na2InCuBr6 by Materials Project. https://doi.org/10.17188/1734182

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