CrystallographyAdvanced Level
Bragg's Law & XRD Simulator
Simulate X-ray diffraction peaks, permitted hkl reflections, and calculate Bragg diffraction angles for cubic Bravais structures.
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Load Preset Material
Å
degrees
E.g., 90° or 120° (Max 180°)
No allowed peaks found in this 2θ range. Adjust lattice parameter or wavelength.
Formula: Allowed Cubic Reflections
d = a / sqrt(h² + k² + l²)
Where:
a=Lattice parameter (cell width) (Å)
h, k, l=Miller indices of reflecting plane (integers)
* Diffraction peak positions shift to higher angles when cell width 'a' decreases, or wavelength increases, according to sinθ = λ/2d.
Scientific Assumptions & Methodology
- Applies strictly to isotropic cubic crystal systems (SC, BCC, FCC, Diamond).
- Assumes perfectly ordered, stress-free crystal lattices with zero thermal dispersion.
- Diffraction intensities are calculated based on plane multiplicity and the Lorentz-Polarization correction, ignoring specific atomic scattering factors.
Limitations & Educational Warnings
- Intensity values are representative and meant for teaching only; they are not calibrated database values.
- Refinement modeling (like Rietveld or non-cubic crystal symmetries) is deferred.