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DOE OSTI · 1679109

Materials Data on Ag3BiBr6 by Materials Project

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Abstract

(Ag)2AgBiBr6 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight silver molecules and one AgBiBr6 framework. In the AgBiBr6 framework, Ag1+ is bonded to six equivalent Br1- atoms to form AgBr6 octahedra that share corners with six equivalent BiBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–Br bond lengths are 2.75 Å. Bi3+ is bonded to six equivalent Br1- atoms to form BiBr6 octahedra that share corners with six equivalent AgBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–Br bond lengths are 2.83 Å. Br1- is bonded in a linear geometry to one Ag1+ and one Bi3+ atom.

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36 MATERIALS SCIENCEAg-Bi-BrAg3BiBr6crystal structure

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2020-05-03. Materials Data on Ag3BiBr6 by Materials Project. https://doi.org/10.17188/1679109

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