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DOE OSTI · 1199733

Materials Data on CuH4(OF)2 by Materials Project

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Abstract

CuH4(OF)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Cu2+ is bonded to two equivalent O2- and four equivalent F1- atoms to form distorted edge-sharing CuO2F4 octahedra. Both Cu–O bond lengths are 1.92 Å. There are two shorter (1.95 Å) and two longer (2.66 Å) Cu–F bond lengths. H1+ is bonded in a distorted single-bond geometry to one O2- and one F1- atom. The H–O bond length is 0.99 Å. The H–F bond length is 1.62 Å. O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent H1+ atoms. F1- is bonded in a 1-coordinate geometry to two equivalent Cu2+ and two equivalent H1+ atoms.

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36 MATERIALS SCIENCEcrystal structureCu-F-H-OCuH4(OF)2

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2020-07-15. Materials Data on CuH4(OF)2 by Materials Project. https://doi.org/10.17188/1199733

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