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DOE OSTI · 1654745

Materials Data on CuO2 by Materials Project

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Abstract

CuO2 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two CuO2 sheets oriented in the (0, 1, 0) direction. Cu is bonded to six O atoms to form a mixture of edge and corner-sharing CuO6 octahedra. The corner-sharing octahedral tilt angles are 24°. There are a spread of Cu–O bond distances ranging from 1.86–2.22 Å. There are two inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two equivalent Cu atoms. In the second O site, O is bonded to four equivalent Cu atoms to form a mixture of distorted edge and corner-sharing OCu4 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureCu-OCuO2

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2020-07-16. Materials Data on CuO2 by Materials Project. https://doi.org/10.17188/1654745

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