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DOE OSTI · 1676434

Materials Data on CuH2(NF2)2 by Materials Project

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Abstract

CuF4(NH)2 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of eight ammonia molecules and two CuF4 sheets oriented in the (0, 1, 0) direction. In each CuF4 sheet, Cu2+ is bonded to six F1- atoms to form corner-sharing CuF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cu–F bond distances ranging from 1.79–2.34 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent Cu2+ atoms. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one Cu2+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-F-H-NCuH2(NF2)2

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2020-05-02. Materials Data on CuH2(NF2)2 by Materials Project. https://doi.org/10.17188/1676434

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