Rapid structure determination of a metal oxide from pseudo-kinematical electron diffraction data

The electron precession diffraction technique is employed to provide quasi-kinematical data for determination of atom positions in the (Ga,In) 2SnO 5 m-phase. Precession data are compared with conventional diffraction data captured under identical conditions and show a distinct superiority because t...

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Bibliographic Details
Published in:Ultramicroscopy 2006, Vol.106 (2), p.114-122
Main Authors: Own, C.S., Sinkler, W., Marks, L.D.
Format: Article
Language:English
Subjects:
Crystallography
Direct methods
Electron diffraction
Electron precession
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Summary:The electron precession diffraction technique is employed to provide quasi-kinematical data for determination of atom positions in the (Ga,In) 2SnO 5 m-phase. Precession data are compared with conventional diffraction data captured under identical conditions and show a distinct superiority because they exhibit kinematical characteristics in the structure-defining reflections. Precessed data are not usable within a kinematical interpretation in all cases, and a simple basis is presented for omission of errant reflections to improve adherence to kinematical behavior. A second approach is demonstrated where intensities are used with direct methods instead of amplitudes, enhancing the contrast between strong and weak beams. The unrefined atom positions recovered a priori via direct methods are consistent between the two approaches and fall on average within 4 picometers of positions in the previously refined structure.
ISSN:0304-3991
1879-2723
DOI:10.1016/j.ultramic.2005.06.058