Determination of Crystal Structure using powder X-Ray Diffraction
In the diffractogram given in Figure 2 for an unknown material, the following procedure is adhered:
Steps :
- Firstly, the 2θ values where diffraction occurred are obtained,
- Subsequently, the corresponding θ, sin θ and sin2θ values for all the peaks are noted,
- The ratios of sin2θ value of all the peaks with respect to the first peak is obtained,
- Finally, the obtained ratios are multiplied by a suitable integer to convert all these ratios into an integer.
- The distinction between lattices of the cubic system is possible by using the fact that not all combinations of h2+k2+l2 lead to reflection for a given lattice. The ratio of h2+k2+l2 values for allowed reflections from different crystals are as follows [3]:
It is clear from the above table that the unknown material whose diffractogram is given is an FCC material.