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DOE OSTI · 1732731

Materials Data on Na2GaAgI6 by Materials Project

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Abstract

(Na)2AgGaI6 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 AgGaI6 framework. In the AgGaI6 framework, Ag1+ is bonded to six equivalent I1- atoms to form AgI6 octahedra that share corners with six equivalent GaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–I bond lengths are 2.96 Å. Ga3+ is bonded to six equivalent I1- atoms to form GaI6 octahedra that share corners with six equivalent AgI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–I bond lengths are 2.84 Å. I1- is bonded in a linear geometry to one Ag1+ and one Ga3+ atom.

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36 MATERIALS SCIENCEAg-Ga-I-Nacrystal structureNa2GaAgI6

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2020-05-03. Materials Data on Na2GaAgI6 by Materials Project. https://doi.org/10.17188/1732731

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DOE OSTI2026

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36 MATERIALS SCIENCE↗