A synchrotron X-ray diffraction analysis of near-stoichiometric LiNbO3
-
B. Etschmann
Abstract
Single-crystal diffraction data was collected at 120 and 294 K for an approximately spherical LiNbO3 crystal, 16 μm in diameter, using focused λ=0.7516 (1) Å wavelength synchrotron X-radiation and a fast avalanche photodiode (APD) detector. Extinction was significantly less than that recorded for previous single-crystal X-ray diffraction experiments. Anharmonic atomic displacements of Nb and Li were refined using a Gram-Charlier expansion to the fourth order. There was no significant change in the topography of the difference electron density (Δρ) map after anharmonic refinement. An accumulation of electrons present at the vacant site in the 294 K Δρ map was not evident in the 120 K Δρ map, indicating a migration of Li atoms to the vacant site as the temperature increased. The orientation of the electron density around Nb flipped by 90° going from 120 to 294 K.
© 2001 Oldenbourg Wissenschaftsverlag GmbH
Articles in the same Issue
- In situ structure solution of helical sulphur at 3GPa and 400ºC
- Phonon dispersion curves by inelastic neutron scattering to 12 Gpa
- Self-intersecting three-periodic minimal surfaces forming one-periodic tubes or finite polyhedra
- The crystal structure of FeInGe2O7
- Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry
- The crystal structures of phenacite-type Li2(MoO4), and scheelite-type LiY(MoO4)2 and LiNd(MoO4)2
- A synchrotron X-ray diffraction analysis of near-stoichiometric LiNbO3
- Polymorphism and multiple twinning of (Et4N)2ZnCl4
- Prediction of crystal structure of a rare monosaccharide – influence of model geometry
Articles in the same Issue
- In situ structure solution of helical sulphur at 3GPa and 400ºC
- Phonon dispersion curves by inelastic neutron scattering to 12 Gpa
- Self-intersecting three-periodic minimal surfaces forming one-periodic tubes or finite polyhedra
- The crystal structure of FeInGe2O7
- Crystal structure of kristiansenite: a case of class IIB twinning by metric merohedry
- The crystal structures of phenacite-type Li2(MoO4), and scheelite-type LiY(MoO4)2 and LiNd(MoO4)2
- A synchrotron X-ray diffraction analysis of near-stoichiometric LiNbO3
- Polymorphism and multiple twinning of (Et4N)2ZnCl4
- Prediction of crystal structure of a rare monosaccharide – influence of model geometry
