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Crystallographic Information File (CIF) is a standard text file format for representing crystallographic information, promulgated by the International Union of Crystallography (IUCr). CIF was developed by the IUCr Working Party on Crystallographic Information in an effort sponsored by the IUCr Commission on Crystallographic Data and the IUCr ...
The Crystallography Open Database (COD) is a database of crystal structures. [1] Unlike similar crystallographic databases, the database is entirely open-access, with registered users able to contribute published and unpublished structures of small molecules and small to medium-sized unit cell crystals to the database.
A crystallographic database is a database specifically designed to store information about the structure of molecules and crystals.Crystals are solids having, in all three dimensions of space, a regularly repeating arrangement of atoms, ions, or molecules.
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Patterns may be experimentally determined, or computed based on crystal structure and Bragg's law. It is most often used to identify substances based on x-ray diffraction data, and is designed for use with a diffractometer. The PDF contains more than a million unique material data sets.
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Crystallography ranges from the fundamentals of crystal structure to the mathematics of crystal geometry, including those that are not periodic or quasicrystals. At the atomic scale it can involve the use of X-ray diffraction to produce experimental data that the tools of X-ray crystallography can convert into detailed positions of atoms, and ...