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DOE OSTI · 1748411

Materials Data on Na2CuBiCl6 by Materials Project

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Abstract

(Na)2CuBiCl6 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 CuBiCl6 framework. In the CuBiCl6 framework, Cu1+ is bonded to six equivalent Cl1- atoms to form CuCl6 octahedra that share corners with six equivalent BiCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cu–Cl bond lengths are 2.48 Å. Bi3+ is bonded to six equivalent Cl1- atoms to form BiCl6 octahedra that share corners with six equivalent CuCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Cl bond lengths are 2.71 Å. Cl1- is bonded in a linear geometry to one Cu1+ and one Bi3+ atom.

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36 MATERIALS SCIENCEBi-Cl-Cu-Nacrystal structureNa2CuBiCl6

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2020-05-04. Materials Data on Na2CuBiCl6 by Materials Project. https://doi.org/10.17188/1748411

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36 MATERIALS SCIENCE↗