Scherrer's Formula:

Crystallite size (average in Å) = K l / (B cos

Instrument parameters:
Anode material: Copper (Cu)
K-Alpha1 (Å): 1.540598
K-Alpha2 (Å): 1.544426
K-A.2 / K-A.1 ratio: 0.5
K-Alpha (Å): 1.541874
K-Beta (Å): 1.39225

NB.
Shape factor K is 0.9 (assumes spherical crystallites)
Instrument broadening is 'B', described by the FWHM of the relevant peaks
FWHM stands for Full Width at Half Maximum
θ is theta, half of the Bragg angle (in radians)
λ is lambda, wavelength of the X-rays used

(enter your data below)

(enter mineral name below) Peaks for crystallite

Phase name size calculation

Mineral/compound ENTER ( h k l ) HERE

ENTER ( h k l ) HERE

ENTER ( h k l ) HERE

Notes
· Use at least the 3 most intense peaks (described by miller indices - h
·The calculations are set up to use a correction for instrumental broad
·The Scherrer Formula is usually most effective for materials with cry
 = K l / (B cos q)
We need an appropriate value for this (for your
set) before Scherrer's Eq. is valid!
Bstandard
FWHM
Si (111) position (2θ) degrees
(this is λ for copper radiation) 28.443 REF VALUE NEEDED
(FROM XRD LAB)

WHM of the relevant peaks: Bstructural = Bobserved - Bstandard (where B is the FWHM in radians)

Do not write anything in these

(enter your data below) 2 columns!

(enter your data below) Bobserved Bstandard (Si 111) Bstructural

Peak position (°2θ) FWHM (enter as °2θ ) FWHM (as °2θ ) FWHM (as °2θ )

ENTER DATA HERE ENTER DATA HERE REF VALUE NEEDED #VALUE!

ENTER DATA HERE ENTER DATA HERE REF VALUE NEEDED #VALUE!

ENTER DATA HERE ENTER DATA HERE REF VALUE NEEDED #VALUE!

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

ion for instrumental broadening, so we can quote the calculated values as (estimated) absolute crystallite

tive for materials with crystallite sizes (also known as crystal domains) of 200-300nm or less.
 ue for this (for your sample
s valid!

ALUE NEEDED

(These columns give your

answers)

Crystallite size
↓ ↓
Size (Å) Size (nm)

#VALUE! #VALUE!

#VALUE! #VALUE!

#VALUE! #VALUE!

) absolute crystallite sizes.