Journal of Applied Crystallography

Volume 46, Part 6 (December 2013)


research papers



J. Appl. Cryst. (2013). 46, 1741-1748    [ doi:10.1107/S0021889813023698 ]

Orientation domains in the intermediate product Na3TiOF5 during the synthesis of anatase TiO2 nanosheets with exposed reactive {001} facets

Y. Xiong, S. Jia, J. Wang, S. Peng, L. Lu, H. Zheng and Z. Jia

Abstract: A powder of oxyfluorotitanate Na3TiOF5 crystals is acquired as an intermediate product during the synthesis of anatase titanium dioxide (TiO2) nanosheets with a large percentage of exposed reactive {001} facets. By application of transmission electron microscopy techniques, mainly energy dispersive spectroscopy and selected-area electron diffraction, coherent domain variants of Na3TiOF5 are shown to possess monoclinic structure with space group P21/n. The occurrence of these orientation domain variants is attributed to the reduction of crystal symmetry as a result of the phase transition from the high-temperature cubic phase to the low-temperature monoclinic phase. Through a detailed group theory analysis, the orientation domains are shown to exhibit 12 variants and 11 domain boundaries, which can be categorized into three types of perpendicular twins and two types of antiparallel twins. This work may provide meaningful insight for understanding the growth mechanism of anatase TiO2 with a high percentage of reactive facets.

Keywords: shape-controlled nanocrystals; orientation domain variants.


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[ doi:10.1107/S0021889813023698/nb5086sup1.pdf ]
More details of the group theory procedure


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