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Direct determination of microstructural parameters from the X‐ray diffraction profile of a crystal with stacking faults
Author(s) -
EstevezRams Ernesto,
PentonMadrigal Arbelio,
LoraSerrano Raymundo,
MartinezGarcia Jorge
Publication year - 2001
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889801014091
Subject(s) - deconvolution , diffraction , stacking , planar , robustness (evolution) , formalism (music) , materials science , powder diffraction , x ray crystallography , crystallography , crystal (programming language) , computational physics , algorithm , optics , analytical chemistry (journal) , chemistry , computer science , physics , nuclear magnetic resonance , chromatography , visual arts , gene , art , musical , biochemistry , computer graphics (images) , programming language
The practical aspects of a recently deduced formalism for the direct solution of the powder diffraction pattern of a layer crystal are addressed. It is shown that the obtained solution is particularly well suited to combination with a deconvolution procedure based on a series development of the peak profile. The influence of noise and step size on the obtained solution is discussed. Computer simulation is used to assess the robustness of the proposed procedure. The developed procedure is applied to a powder sample of Y 2 Co 17 that is affected by planar disorder.