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The use of pattern decomposition to study the combined X‐ray diffraction effects of crystallite size and stacking faults in ex‐oxalate zinc oxide
Author(s) -
Langford J. I.,
Boultif A.,
Auffrédic J. P.,
Louër D.
Publication year - 1993
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/s0021889892007684
Subject(s) - crystallite , diffraction , materials science , stacking , stacking fault , microstructure , powder diffraction , oxalate , crystallography , thermal decomposition , x ray crystallography , oxide , mineralogy , analytical chemistry (journal) , chemistry , optics , composite material , physics , inorganic chemistry , metallurgy , organic chemistry
The microstructure of ZnO powder, obtained from thermal decomposition of the oxalate and studied previously by electron microscopy and adsorption calorimetry, was investigated by means of X‐ray powder diffraction pattern decomposition. A Williamson–Hall plot revealed that some lines were broadened solely due to the effects of crystallite size, whereas other breadths included a contribution due to stacking faults. Spherical and cylindrical models are used to describe the form of the crystallites and procedures are presented for separating 'size' effects from `mistake' broadening. This leads to estimates of the mean dimensions of the crystallites and the stacking‐fault probability. The analysis demonstrates that, with good‐quality data for a large number of reflections, a considerable amount of detailed information can be obtained about microstructure. On the other hand, it reveals some of the limitations of current procedures for modelling diffraction line profiles.