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DOE OSTI · 1321112

Materials Data on Zn(CuO2)2 by Materials Project

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Abstract

Zn(CuO2)2 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Cu3+ is bonded to six equivalent O2- atoms to form CuO6 octahedra that share corners with six equivalent ZnO4 tetrahedra and edges with six equivalent CuO6 octahedra. There are four shorter (2.01 Å) and two longer (2.02 Å) Cu–O bond lengths. Zn2+ is bonded to four equivalent O2- atoms to form ZnO4 tetrahedra that share corners with twelve equivalent CuO6 octahedra. The corner-sharing octahedral tilt angles are 58°. All Zn–O bond lengths are 1.97 Å. O2- is bonded to three equivalent Cu3+ and one Zn2+ atom to form a mixture of distorted edge and corner-sharing OZnCu3 trigonal pyramids.

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36 MATERIALS SCIENCEcrystal structureCu-O-ZnZn(CuO2)2

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2020-07-22. Materials Data on Zn(CuO2)2 by Materials Project. https://doi.org/10.17188/1321112

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