Analyze diffraction peaks using flexible physics inputs and clear outputs. Save reports fast and compare. Visualize XRD behavior with dependable calculations and export tools.
The chart below shows a simulated Gaussian diffraction peak centered at the calculated 2θ position.
| Material | Wavelength (Å) | 2θ (deg) | FWHM (deg) | (hkl) | Typical Use |
|---|---|---|---|---|---|
| Silicon | 1.5406 | 28.44 | 0.12 | (111) | Semiconductor reference peak checks |
| Gold | 1.5406 | 38.18 | 0.22 | (111) | Nanoparticle phase confirmation |
| Iron | 1.5406 | 44.67 | 0.18 | (110) | Body-centered cubic analysis |
| Aluminum | 1.5406 | 38.47 | 0.15 | (111) | Face-centered cubic indexing |
nλ = 2d sinθ
Use this relation to find d-spacing from peak angle, or find the diffraction angle from known plane spacing.
q = 4π sinθ / λ
This expresses the peak in reciprocal space and helps compare diffraction positions across measurements.
a = d √(h² + k² + l²)
For cubic systems, the lattice parameter follows directly from d-spacing and the selected Miller indices.
D = Kλ / (β cosθ)
This estimates crystallite size when line broadening is known. β must be in radians, and instrumental broadening should be corrected beforehand.
It calculates Bragg angle, peak position, d-spacing, scattering vector, cubic lattice parameter, and optional Scherrer crystallite size from common diffraction inputs.
Enter the wavelength used by your X-ray source. Cu Kα is commonly 1.5406 Å, but other sources such as Co Kα need their own values.
θ is the Bragg angle between the beam and crystal plane. 2θ is the detector angle normally reported by diffractometers and peak lists.
Use it when peak broadening mainly comes from small crystallite size. Correct instrumental broadening first, or the calculated size may be underestimated.
Miller indices identify the reflecting plane. For cubic materials, they allow conversion from d-spacing into the lattice parameter using a simple geometric relation.
No. The lattice-parameter step in this file assumes a cubic crystal. Bragg’s law and Scherrer calculations still work for other structures.
If nλ divided by 2d is greater than one, no real diffraction angle exists. That means the chosen wavelength, spacing, or order is incompatible.
It shows a simulated Gaussian peak around the calculated 2θ value. It is useful for visualization, not as a replacement for full profile fitting.
Important Note: All the Calculators listed in this site are for educational purpose only and we do not guarentee the accuracy of results. Please do consult with other sources as well.