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DOE OSTI · 1723812

Materials Data on Na2GaHgBr6 by Materials Project

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Abstract

(Na)2HgGaBr6 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 HgGaBr6 framework. In the HgGaBr6 framework, Hg1+ is bonded to six equivalent Br1- atoms to form HgBr6 octahedra that share corners with six equivalent GaBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Hg–Br bond lengths are 2.87 Å. Ga3+ is bonded to six equivalent Br1- atoms to form GaBr6 octahedra that share corners with six equivalent HgBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–Br bond lengths are 2.61 Å. Br1- is bonded in a linear geometry to one Hg1+ and one Ga3+ atom.

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36 MATERIALS SCIENCEBr-Ga-Hg-Nacrystal structureNa2GaHgBr6

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2020-05-04. Materials Data on Na2GaHgBr6 by Materials Project. https://doi.org/10.17188/1723812

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