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Zhong, J. Crystallite Size. Encyclopedia. Available online: https://encyclopedia.pub/entry/60982 (accessed on 09 November 2026).
Zhong J. Crystallite Size. Encyclopedia. Available at: https://encyclopedia.pub/entry/60982. Accessed November 09, 2026.
Zhong, Jack. "Crystallite Size" Encyclopedia, https://encyclopedia.pub/entry/60982 (accessed November 09, 2026).
Zhong, J. (2026, October 14). Crystallite Size. In Encyclopedia. https://encyclopedia.pub/entry/60982
Zhong, Jack. "Crystallite Size." Encyclopedia. Web. 14 October, 2026.

Crystallite Size

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Crystallite size is the mean extent of coherently diffracting domains within a powder or polycrystal, a quantity distinct from particle size because one particle may contain many such domains. Diffraction line broadening is the usual access route: the Scherrer relation converts peak width into a domain dimension, but the measured width also contains instrumental broadening and depends on crystallite shape through the Scherrer constant. Instrumental broadening should therefore be corrected using a suitable standard, LaB6 among them, or an appropriate profile model before a meaningful size is extracted. Extensions of the Scherrer analysis can, in favorable cases and with additional assumptions, yield a crystallite-size distribution rather than a single number; such distributions are not generally obtainable from peak widths alone and require suitable whole-profile or envelope-function treatments [1,2]. Size broadening overlaps with strain broadening in the same profile, so separating the two requires several orders of reflection or a full-profile treatment; established approaches include Williamson–Hall analysis and Warren–Averbach Fourier analysis [3]. Different routes to the same quantity give systematically different answers, as comparisons on hydroxyapatite show [4], and the same caution applies when the phase sits in a deformed matrix [5]. The resulting value is best regarded as an apparent domain size whose physical interpretation depends on how much of the profile has been modeled and on the corrections applied; it should not be equated with a unique physical dimension unless those effects are adequately treated. Machine-learning methods are also being explored for diffraction-data analysis and for assisting parameter extraction, but their predictions depend on training data and should be validated against physically based profile models rather than regarded as a substitute for instrumental corrections [6].

scherrer equation x-ray line broadening coherent diffraction domain microstrain peak profile fitting powder diffraction domain size distribution
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References

  1. Bienenstock, A. Determination of Crystallite Size Distributions from X-Ray Line Broadening. Journal of Applied Physics 1961, 32, 187-189. [CrossRef]
  2. Gesing, T. M.; Robben, L. Determination of the average crystallite size and the crystallite size distribution: the envelope function approach EnvACS. Journal of Applied Crystallography 2024, 57, 1466-1476. [CrossRef]
  3. Ferguson, I.F. Crystallite size, strain and shape determinations on thoria from X-ray line broadening studies. Philosophical Magazine 1965, 12, 1115-1122. [CrossRef]
  4. Rabiei, M.; Palevicius, A.; Monshi, A.; Nasiri, S.; Vilkauskas, A.; Janusas, G. Comparing Methods for Calculating Nano Crystal Size of Natural Hydroxyapatite Using X-Ray Diffraction. Nanomaterials 2020, 10, 1627. [CrossRef]
  5. Feijoo, I.; Cabeza, M.; Merino, P.; Pena, G.; Pérez, M.; Cruz, S.; Rey, P. Estimation of crystallite size and lattice strain in nano-sized TiC particle-reinforced 6005A aluminium alloy from X-ray diffraction line broadening. Powder Technology 2019, 343, 19-28. [CrossRef]
  6. Surdu, V.A.; Győrgy, R. X-ray Diffraction Data Analysis by Machine Learning Methods—A Review. Applied Sciences 2023, 13, 9992. [CrossRef]
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Entry Collection: Polymer Concepts
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Update Date: 26 Oct 2026
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