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

C. S. Own*, W. Sinkler, L. D. Marks

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

The electron precession diffraction technique is employed to provide quasi-kinematical data for determination of atom positions in the (Ga,In) 2SnO5 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.

Original languageEnglish (US)
Pages (from-to)114-122
Number of pages9
JournalUltramicroscopy
Volume106
Issue number2
DOIs
StatePublished - Jan 2006

Keywords

  • Crystallography
  • Direct methods
  • Electron diffraction
  • Electron precession

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Instrumentation

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