Crystallography

Crystallography is a powerful scientific technique used to determine the three-dimensional structure of crystalline materials at the atomic level. It has widespread applications in various scientific fields, including chemistry, biology, materials science, and solid-state physics. It has been instrumental in elucidating the structures of proteins, nucleic acids, small organic molecules, inorganic compounds, and complex materials, contributing significantly to our understanding of molecular interactions, biological processes, and the design of new materials with tailored properties.

A single crystal of the material under study is typically required. This crystal is placed in the path of a monochromatic X-ray beam or an electron beam. The X-rays or electrons interact with the electron cloud surrounding the atoms in the crystal, leading to constructive interference between scattering from different atomic planes within the crystal lattice.

By analyzing the resulting diffraction pattern, researchers can reconstruct the electron density distribution within the crystal. From the electron density distribution, the positions of the atoms  within the crystal lattice can be determined with high precision. This information provides insight into the spatial arrangement of atoms, the bond lengths, bond angles, and other structural parameters, enabling scientists to understand the chemical and physical properties of the material.