If someone has found some paper with the parameters then. These calculations consist in finding the position of atomic nuclei for which potential energy of the whole molecule reaches the minimum. I am looking for the Neutron Diffraction parameters of Barium Titanate to construct crystal of BTO. The lengths of bonds can also be determined theoretically by quantum chemistry methods.spectroscopic methods - measuring the absorbance (degree of absorption) of electromagnetic waves at a fixed frequency during contact with the test substance.The replacements of Y 3+ and Mg 2+ inhibit the grain growth, cause tetragonal-to-pseudocubic phase transition, reduce the dielectric loss, and flatten the temperature. Y 3+ dissolved in the lattice of BaTiO 3 replacing both Ba 2+ site and Ti 4+ site, and Mg 2+ replaced Ti 4+ site. low-energy electron diffraction (LEED) - is a bombardment of the crystal surface (solid body) with a beam of low energy electrons (20-200 eV) and observation of their diffraction on a fluorescent screen, The microstructures and dielectric properties of Y-Mg-Ga-Si co-doped barium titanate ceramics were investigated.X-ray diffraction of solids - uses X-ray diffraction during contact with the electron cloud, allows to experimentally determine the structure (geometry) of solids (crystals),.determinations (plus another four for BaTiO3) for various. Experimental methods that allow to study the bond lengths in molecules include: databases: Inorganic Crystal Structure Database (ICSD) Cambridge Structure Database (CSD) for.It means, that the distance between the same pair of atoms (e.g., C-H) may vary depending on which compound we are dealing with. In general, the length of the bonds is a property of a whole molecule. The crystal structure information includes mineral name, specification, crystal chemical formula, space group, unit cell parameters, coordinates, thermal factors and occupancy of atomic positions as well as literature references on crystal structure determination.Effectively bonds are in longer-shorter cycle, oscillating around some particular length. In real world, distance beetwen atoms are not constant, because atoms in mocelules are in constant motion.When we say about bond length in the molecule we get in mind the distance between atomic nuclei.