Use this chemistry calculator to reproduce a named relationship with explicit quantities and units for study, laboratory planning, or an independent numerical check.

Bragg angle (°)

Bragg angle theta of the analysed peak.

Peak FWHM (rad)

Peak full width at half maximum in radians.

Shape factor

Dimensionless shape factor, commonly 0.9.

Wavelength (nm)

X-ray wavelength in nanometres.

Estimate crystallite domain size with the Scherrer equation D = K*lambda/(beta*cos(theta)) from XRD peak broadening. The tool evaluates the supplied inputs together and returns the named outputs below; it does not infer omitted operating conditions or change the units shown.^[1]

Crystallite size (nm)

Crystallite size along the reflecting plane normal.

• The result is conditional on the stated model, constants, standard state, temperature, pressure, composition, and unit basis. Real mixtures and measurements can depart from ideal behavior and carry uncertainty not represented by a single calculated value.
• Use finite inputs in the displayed units and preserve more precision than the final presentation requires. Independently verify safety-critical, financial, compliance, or production decisions.

Check units and significant figures, compare the result with limiting cases, and use measured or source-specific constants where available. Laboratory, safety, and regulatory decisions require validated methods and appropriate uncertainty analysis.

• Bragg Angle Calculator

  Solve Bragg's law n*lambda = 2*d*sin(theta) for the diffraction angle theta in degrees.

• D-Spacing from Bragg's Law Calculator

  Solve Bragg's law n*lambda = 2*d*sin(theta) for the interplanar spacing d in angstroms.

• Van der Waals Volume Correction Calculator

  Compute the excluded volume n·b subtracted from container size in the van der Waals equation.