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X-ray notation is a method of labeling atomic orbitals that grew out of X-ray science. Also known as IUPAC notation, it was adopted by the International Union of Pure and Applied Chemistry in 1991 as a simplification of the older Siegbahn notation. [1] In X-ray notation, every principal quantum number is given a letter associated with it.
The different electron states which exist in an atom are usually described by atomic orbital notation, as is used in chemistry and general physics. However, X-ray science has special terminology to describe the transition of electrons from upper to lower energy levels: traditional Siegbahn notation, or alternatively, simplified X-ray notation.
The first X-ray diffraction experiment was conducted in 1912 by Max von Laue, [7] while electron diffraction was first realized in 1927 in the Davisson–Germer experiment [8] and parallel work by George Paget Thomson and Alexander Reid. [9] These developed into the two main branches of crystallography, X-ray crystallography and electron ...
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.
A list of experimentally found and theoretically calculated X-ray transition energies is available at NIST. [8] Nowadays, theoretical energies are computed with much greater accuracy than Moseley's law allows, using modern computational models such as the Dirac–Fock method (the Hartree–Fock method with the relativistic effects accounted for).
For example, if aluminum K-alpha X-rays are used, the intrinsic energy band has a FWHM of 0.43 eV, centered on 1,486.7 eV (E/ΔE = 3,457). If magnesium K-alpha X-rays are used, the intrinsic energy band has a FWHM of 0.36 eV, centered on 1,253.7 eV (E/ΔE = 3,483). These are the intrinsic X-ray line widths; the range of energies to which the ...
An electron from the 2s level fills in the 1s hole and the transition energy is imparted to a 2p electron which is emitted. The final atomic state thus has two holes, one in the 2s orbital and the other in the 2p orbital. (b) illustrates the same process using X-ray notation, KL 1 L 2,3.
the notation {} denotes the set of all planes that are equivalent to () by the symmetry of the lattice. In the context of crystal directions (not planes), the corresponding notations are: [ h k ℓ ] , {\displaystyle [hk\ell ],} with square instead of round brackets, denotes a direction in the basis of the direct lattice vectors instead of the ...