Crystallography is the experimental science of determining the arrangement of atoms in crystalline solids. Crystallography is a fundamental subject in the fields of materials science and solid-state physics. The word "crystallography" is derived from the Greek words crystallon "cold drop, frozen drop", with its meaning extending to all solids with some degree of transparency, and graphein "to write". In July 2012, the United Nations recognised the importance of the science of crystallography by proclaiming that 2014 would be the International Year of Crystallography.
X-ray crystallography is the experimental science determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract into many specific directions. By measuring the angles and intensities of these diffracted beams, a crystallographer can produce a three-dimensional picture of the density of electrons within the crystal. From this electron density, the mean positions of the atoms in the crystal can be determined, as well as their chemical bonds, their crystallographic disorder, and various other information.
Ralph Walter Graystone Wyckoff, Sr. was an American scientist and pioneer of X-ray crystallography. He was elected member of the National Academy of Sciences in 1949 and Foreign member of the Royal Society, on April 19, 1951.
Multi-wavelength anomalous diffraction is a technique used in X-ray crystallography that facilitates the determination of the three-dimensional structure of biological macromolecules via solution of the phase problem.
Diffraction topography is a quantum beam imaging technique based on Bragg diffraction. Diffraction topographic images ("topographies") record the intensity profile of a beam of X-rays diffracted by a crystal. A topography thus represents a two-dimensional spatial intensity mapping of reflected X-rays, i.e. the spatial fine structure of a Laue reflection. This intensity mapping reflects the distribution of scattering power inside the crystal; topographs therefore reveal the irregularities in a non-ideal crystal lattice. X-ray diffraction topography is one variant of X-ray imaging, making use of diffraction contrast rather than absorption contrast which is usually used in radiography and computed tomography (CT). Topography is exploited to a lesser extends with neutrons and other quantum beams. In the electron microscope community, such technique is called dark field imaging or diffraction contrast imaging.
The International Union of Crystallography (IUCr) is an organisation devoted to the international promotion and coordination of the science of crystallography. The IUCr is a member of the International Council for Science (ICSU).
Acta Crystallographica is a series of peer-reviewed scientific journals, with articles centred on crystallography, published by the International Union of Crystallography (IUCr). Originally established in 1948 as a single journal called Acta Crystallographica, there are now six independent Acta Crystallographica titles:
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. They are characterized by symmetry, morphology, and directionally dependent physical properties. A crystal structure describes the arrangement of atoms, ions, or molecules in a crystal.
2-Methyl-2,4-pentanediol (MPD) is an organic compound with the formula (CH3)2C(OH)CH2CH(OH)CH3. This colourless liquid is a chiral diol. It is produced industrially from diacetone alcohol by hydrogenation. Total European and USA production was 15000 tonnes in 2000.
Protein crystallization is the process of formation of a regular array of individual protein molecules stabilized by crystal contacts. If the crystal is sufficiently ordered, it will diffract. Some proteins naturally form crystalline arrays, like aquaporin in the lens of the eye.
Mamannamana Vijayan was an Indian structural biologist.
In crystallography, mosaicity is a measure of the spread of crystal plane orientations. A mosaic crystal is an idealized model of an imperfect crystal, imagined to consist of numerous small perfect crystals (crystallites) that are to some extent randomly misoriented. Empirically, mosaicities can be determined by measuring rocking curves. Diffraction by mosaics is described by the Darwin–Hamilton equations.
Americium(III) bromide or americium tribromide is the chemical compound composed of americium and bromine with the formula AmBr3, with americium in a +3 oxidation state. The compound is a crystalline solid.
Quantum crystallography is a branch of crystallography that investigates crystalline materials within the framework of quantum mechanics, with analysis and representation, in position or in momentum space, of quantities like wave function, electron charge and spin density, density matrices and all properties related to them. Like the quantum chemistry, Quantum crystallography involves both experimental and computational work. The theoretical part of quantum crystallography is based on quantum mechanical calculations of atomic/molecular/crystal wave functions, density matrices or density models, used to simulate the electronic structure of a crystalline material. While in quantum chemistry, the experimental works mainly rely on spectroscopy, in quantum crystallography the scattering techniques play the central role, although spectroscopy as well as atomic microscopy are also sources of information.
Margaret Cairns Etter, known informally as Peggy Etter, was an American chemist who contributed to the development of solid state chemistry for crystalline organic compounds. She is known for her work characterizing and classifying contacts by hydrogen bonds in organic compounds. Her "enlightened imagination, innovative creativity, and unfailing enthusiasm" is recognised as having a "transformative effect" in many areas of organic chemistry.
The European Crystallographic Association (ECA) is an independent scientific organisation, representing both national crystallographic associations in Europe as well as individual members. ECA was founded in 1997. In May 2021 the association had 35 national and several hundred individual members. ECA is one of the regional affiliates of the International Union of Crystallography. The other independent regional affiliates are the American Crystallographic Association, the Asian Crystallographic Association and the Latin American Crystallographic Association. The association is registered under Dutch law in Zeist.
Durward William John Cruickshank, often known as D. W. J. Cruickshank, was a British crystallographer whose work transformed the precision of determining molecular structures from X-ray crystal structure analysis. He developed the theoretical framework for anisotropic displacement parameters, also known as the thermal ellipsoid, for crystal structure determination in a series of papers published in 1956 in Acta Crystallographica.
This is a timeline of crystallography.
Mercury is a freeware developed by the Cambridge Crystallographic Data Centre, originally designed as a crystal structure visualization tool. Mercury helps three dimensional visualization of crystal structure and assists in drawing and analysis of crystal packing and intermolecular interactions. Current version Mercury can read "cif", ".mol", ".mol2", ".pdb", ".res", ".sd" and ".xyz" types of files. Mercury has its own file format with filename extension ".mryx".
Hans-Beat Bürgi is a Swiss chemist and crystallographer. He was a professor for crystallography at the University of Bern from 1979 to 2007.
