Modeling of profiles of X-ray diffraction reflections for gradient single crystals

Citation
Ia. Kasatkin et Ti. Ivanova, Modeling of profiles of X-ray diffraction reflections for gradient single crystals, CRYSTALLO R, 43(6), 1998, pp. 1015-1019
Citations number
5
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CRYSTALLOGRAPHY REPORTS
ISSN journal
10637745 → ACNP
Volume
43
Issue
6
Year of publication
1998
Pages
1015 - 1019
Database
ISI
SICI code
1063-7745(199811/12)43:6<1015:MOPOXD>2.0.ZU;2-Z
Abstract
X-ray diffraction by a one-dimensional gradient crystal with the regular va riations of the lattice metrics caused by the variation of the chemical com position along the growth direction is considered. The diffraction curves c alculated within the suggested model reliably describe the observed asymmet ric profiles of reflections from the growth face of a gradient K1-xRbxC8H5O 4 crystal (x = 0-0.25). It is shown that the gradients of the parameter b o btained in modeling and calculated based on the data of direct measurements are in good agreement.