The structure of nano-twinned rhombohedral YCuO2.66 solved by electron crystallography

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2019 Feb 1;75(Pt 1):107-112. doi: 10.1107/S205252061801627X. Epub 2019 Jan 25.

Abstract

In the search for frustrated spin interactions, a YCuO2.66 phase has been synthesized by a treatment under oxygen pressure of YCuO2.5. X-ray powder diffraction and electron diffraction studies have been conducted. Electron diffraction shows that the sample is twinned on a 10 nm scale. Precession electron diffraction data obtained from a twinned crystal was treated in order to obtain intensities corresponding to only one of the orientations of the twins. From this data a structure solution was obtained where, as in YCuO2.5, the Cu atoms form triangular planes. The Cu atoms are linked in two dimensions by oxygen atoms in the present structure whereas in YCuO2.5 they are only linked in one-dimensional chains.

Keywords: frustrated materials; precession electron diffraction; structure solution; twinning.