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Simple XRD Crystallite Calculator

Scherrer's Formula:

Crystallite size Dp = K l / (B cos q)


Dp - Average crystallite size (nm)
K - Scherrer constant. K varies from 0.68 to 2.08. K = 0.94 for spherical crystallites with
λ - X-ray wavelength. For Mini XRD, Cu Kα average = 1.54178 Å
B - FWHM (Full Width at Half Maximum) of XRD peak. The observed XRD peak brodeni
For best accuracy, extract the size brodening Bsize from the observed Bobs (Please refer to
θ - XRD peak position, one half of 2θ

Parameters Copy and paste XRD data here


K λ (Å) Peak position 2θ (°)
0.94 1.54178 25.59
35.16
37.8
*Blue for input value, Red for calculated value 43.4
52.6
57.56
61.37
66.6
68.28

Notes
· Use at least the 3 most intense peaks (described by miller indices - h,k,l) of know
·Please refer to Sources of Peak Broadening (http://pd.chem.ucl.ac.uk/pdnn/peaks
·The Scherrer's Formula is usually most effective for crystallite sizes of 200 nm or
ulator

.94 for spherical crystallites with cubic symmetry


1.54178 Å
The observed XRD peak brodening could come from the crystallite size (Scherrer's formula), the instrument, and the
the observed Bobs (Please refer to the Notes below), and use it for Scherrer's formula

paste XRD data here


FWHM Bsize (°) Dp (nm) Dp Average (nm)
0.461 18.47 17.12
0.469 18.57
0.463 18.96
0.502 17.80
0.565 16.39
0.596 15.90
0.568 17.00
0.636 15.62
0.654 15.34

by miller indices - h,k,l) of known phases in your sample.

/pd.chem.ucl.ac.uk/pdnn/peaks/broad.htm) for instrumental brodening substraction

or crystallite sizes of 200 nm or less.


), the instrument, and the strain effect (Williamson-Hall method). B obs = Bsize + Binst + Bstrain.