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DOE OSTI · 1323186

Materials Data on Y(CuO2)3 by Materials Project

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Abstract

(CuO2)(Y)(CuO2)CuO2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two copper(ii) hydroxide molecules and one (CuO2)(Y)(CuO2) sheet oriented in the (0, 0, 1) direction. In the (CuO2)(Y)(CuO2) sheet, Y3+ is bonded to six O2- atoms to form edge-sharing YO6 octahedra. All Y–O bond lengths are 2.27 Å. Cu3+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.70 Å) and one longer (1.74 Å) Cu–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Y3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Y3+ and one Cu3+ atom.

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36 MATERIALS SCIENCEcrystal structureCu-O-YY(CuO2)3

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2020-07-22. Materials Data on Y(CuO2)3 by Materials Project. https://doi.org/10.17188/1323186

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