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A powder X-ray diffractometer in motion. X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract in specific directions.
As the crystal's repeating unit, its unit cell, becomes larger and more complex, the atomic-level picture provided by X-ray crystallography becomes less well-resolved (more "fuzzy") for a given number of observed reflections. Two limiting cases of X-ray crystallography are often discerned, "small-molecule" and "macromolecular" crystallography.
Crystallography is a broad topic, and many of its subareas, such as X-ray crystallography, are themselves important scientific topics. Crystallography ranges from the fundamentals of crystal structure to the mathematics of crystal geometry, including those that are not periodic or quasicrystals.
The Wyckoff positions are named after Ralph Wyckoff, an American X-ray crystallographer who authored several books in the field.His 1922 book, The Analytical Expression of the Results of the Theory of Space Groups, [3] contained tables with the positional coordinates, both general and special, permitted by the symmetry elements.
The units of the structure-factor amplitude depend on the incident radiation. For X-ray crystallography they are multiples of the unit of scattering by a single electron (2.82 m); for neutron scattering by atomic nuclei the unit of scattering length of m is commonly used.
Isomorphous replacement (IR) is historically the most common approach to solving the phase problem in X-ray crystallography studies of proteins.For protein crystals this method is conducted by soaking the crystal of a sample to be analyzed with a heavy atom solution or co-crystallization with the heavy atom.
X-ray optics is the branch of optics dealing with X-rays, rather than visible light.It deals with focusing and other ways of manipulating the X-ray beams for research techniques such as X-ray diffraction, X-ray crystallography, X-ray fluorescence, small-angle X-ray scattering, X-ray microscopy, X-ray phase-contrast imaging, and X-ray astronomy.
X-ray powder diffractometer Bruker D8 Advance at FZU – Institute of Physics of the Czech Academy of Sciences. Laboratory X-ray diffraction equipment relies on the use of an X-ray tube, which is used to produce the X-rays. The most commonly used laboratory X-ray tube uses a copper anode, but cobalt and molybdenum are also popular.