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)2SnO5m-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.
Own
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Department of Materials Science, Northwestern University, 2220 Campus Dr., Cook 2036, Evanston, IL 60208, USA. csown@northwestern.edu
Sinkler
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