Related Experiment Video
Updated: Aug 19, 2026

In Situ Neutron Powder Diffraction Using Custom-made Lithium-ion Batteries
Published on: November 10, 2014
Refinement of crystal structural parameters and charge density using convergent-beam electron diffraction--the
Kenji Tsuda1, Yoichiro Ogata, Kazunari Takagi
1Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577, Japan. k_tsuda@tagen.tohoku.ac.jp
Abstract:
Atom positions and anisotropic Debye-Waller factors of the rhombohedral phase of LaCrO(3) have been refined simultaneously with the low-order structure factors, using a structure-analysis method of convergent-beam electron diffraction (CBED) proposed by Tsuda & Tanaka [Acta Cryst. (1999), A55, 939-954]. The method is based on the least-squares fitting between full dynamical calculations and energy-filtered intensities of two-dimensional higher-order Laue-zone (HOLZ) and zeroth-order Laue-zone (ZOLZ) CBED patterns. The positions of the oxygen atoms have been determined with a high precision. Clear anisotropy of the thermal vibrations of the oxygen atoms has been successfully determined by the CBED method for the first time. The charge transfer from the La and Cr atoms to the O atoms has been found from the deformation charge-density map.
Related Concept Videos
X-ray Crystallography
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
Crystal Density
Determination of Crystal Structures
Imperfections in Crystal Structure: Point, Line and Plane Defects
Imperfections in Crystal Structure: Stoichiometric Point Defects
Imperfections in Crystal Structure: Non-Stoichiometric Defects

