reciprOgraph is an applet to represent the calculated intensities of any substance diffracted by x-rays in form of a reciprocal lattice or a powder diffractogram. The structure to be studied can be selected from the ICSD (Inorganic Crystal Structure Database) or can be read from a CIF file. The program can also be inititiated from a structure represented in crystalOgraph.
The intensities are given by the square of the structure factor modulus I(h)=|F(h)|2 where h=h a*+k b*+l c* is a reciprocal vector with integer coefficients hkl and reciprocal lattice vectors a*,b* and c*. In the single crystal pane, each intensity I(h) is represented on the node of the reciprocal lattice vector h with size proportional to its intensity.
The intensities can be analysed in terms of reciprocal lattice planes defined by the normal 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 a positive or negative parrallel displacement.
The applet can also represent the same intensities in form of a
powder diagram where various options can be selected,
inclulding wavelength, peak width and more.
