Materials Data on Cu3OF5 by Materials Project

Kristin Persson
Cu3OF5 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are four inequivalent Cu+2.33+ sites. In the first Cu+2.33+ site, Cu+2.33+ is bonded to one O2- and five F1- atoms to form a mixture of distorted edge and corner-sharing CuOF5 octahedra. The corner-sharing octahedra tilt angles range from 40–58°. The Cu–O bond length is 1.85 Å. There are a spread of Cu–F bond distances ranging from 1.90–2.44 Å. In the second Cu+2.33+...
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