ReciprOgraph

Nicolas Schoeni and Gervais Chapuis
École Polytechnique Fédérale de Lausanne, Switzerland


ReciprOgraph is an applet to calculate the intensities of any substance diffracted by x-rays. The structure to be studied can be read from a CIF file. The intensities are given by the square of the  structure factor modulus I(h)=|F(h)|2 where h=ha*+kb*+lc* is a reciprocal vector. The intensities are represented on the reciprocal lattice where the size of each lattice point h is proportional to its intensity.

The intensities can be analysed by selecting a reciprocal lattice plane u=ua+vb+wc where a, b and c are the lattice constants and u, v and w are integers. For each value of the triplet, the lattice plane can be shifted by parrallel displacement.