Résumé:
The work presented in this thesis consists of determining the distribution of electron density of an
inorganic compound, the "Zinc Potassium triborate," chemical formula "KZnB3O6", by the method
of X-ray diffraction for single crystal in low temperature. For treatments of the raw data we
adopted the Blessing formalism while structural resolution is performed using the least squares
method. A rigorous description of the structure requires the determination of atomic coordinates
of all atoms, to this effect must be referred to respectively bond lengths, valence angles, torsion
angles and the parameters of isotropic and anisotropic thermal motion. The stability of the
different parameters of confidence in cycles of refinement for judging the validity of the structure
factor value. For the best resolution obtained the value of R factor was 1.42%. To judge the value
of the previous results, we proceed to calculate all parameters of the structure by two theoretical
methods namely the Hartree-Fock and DFT. The results obtained were similar to those deduced
from the method of X-ray diffraction In memory of late we have been careful to calculate the
electron density of this compound as the Hansen-Coppens model and establish the electron
density maps to highlight the electrons contours about chemical bonds.
