Materials Data on Ba5Cu4ClF17 by Materials Project

Kristin Persson
Ba5Cu4ClF17 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. there are four inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to one Cl1- and nine F1- atoms. The Ba–Cl bond length is 3.47 Å. There are a spread of Ba–F bond distances ranging from 2.73–2.94 Å. In the second Ba2+ site, Ba2+ is bonded in a 12-coordinate geometry to nine F1- atoms. There are a...
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