X-ray : How the technique works

X-ray diffraction is a common technique that determine a sample's composition or crystalline structure. For larger crystals such as macromolecules and inorganic compounds, it can be used to determine the structure of atoms within the sample. If the crystal size is too small, it can determine sample composition,crystallinity, and phase purity. This technique sends x-ray beams through it. X-ray beams are chosen because their wavelength is similar to the spacing between atoms in the sample, so the angle of diffraction will be affected by the spacing of the atoms in the molecule, as opposed to using much larger wavelengths, which would be unaltered by the spacing between atoms. The x-rays then pass through the sample, “bouncing” off of the atoms in the structure, and changing the direction of the beam at some different angle, theta, from the original beam.This is the angle of diffraction. Some of these diffracted beams cancel each other out, but if the beams have similar wavelengths, then constructive interference occurs. Constructive interference is when the x-ray beams that are whole number integers of the same wavelength add together to create a new beam with a higher amplitude. The greater amplitude of the wave translates into a greater signal for this specific angle of diffraction. The angle of diffraction can then be used to determine the difference between atomic planes using Bragg’s law, sin Θ = nλ / 2d where lambda is the wavelength added, theta is the angle of diffraction, and d is the distance between atomic planes. The distance between atomic plates can then be used to determine composition or crystalline structure.

Figure 1. Bragg's Law reflection. The diffracted X-rays exhibit constructive interference when the distance between paths ABC and A'B'C' differs by an integer number of wavelengths (λ).