Strukturbericht designation
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In
crystallography 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 (condensed matter physics). The wor ...
, a Strukturbericht designation or Strukturbericht type is a system of detailed
crystal structure In crystallography, crystal structure is a description of the ordered arrangement of atoms, ions or molecules in a crystal, crystalline material. Ordered structures occur from the intrinsic nature of the constituent particles to form symmetric pat ...
classification by analogy to another known structure. The designations were intended to be comprehensive but are mainly used as supplement to
space group In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group (its symmetry operations) are the rigid transformations of an object that leave it unchan ...
crystal structures designations, especially historically. Each Strukturbericht designation is described by a single
space group In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group (its symmetry operations) are the rigid transformations of an object that leave it unchan ...
, but the designation includes additional information about the positions of the individual atoms, rather than just the symmetry of the crystal structure. While Strukturbericht symbols exist for many of the earliest observed and most common crystal structures, the system is not comprehensive, and is no longer being updated. Modern databases such as
Inorganic Crystal Structure Database Inorganic Crystal Structure Database (ICSD) is a chemical database founded in 1978 by Günter Bergerhoff (University of Bonn) and I. D. Brown (University of McMaster, Canada). It is now produced by FIZ Karlsruhe in Europe and the U.S. National Inst ...
index thousands of structure types directly by the prototype compound (i.e. "the NaCl structure" instead of "the B1 structure"). These are essentially equivalent to the old Stukturbericht designations.


History

The designations were established by the journal
Zeitschrift für Kristallographie – Crystalline Materials ''Zeitschrift für Kristallographie – Crystalline Materials'' is a monthly peer-reviewed scientific journal published in English. The journal publishes theoretical and experimental studies in crystallography of both organic and inorganic substanc ...
, which published its first round of supplemental reviews under the name ''Strukturbericht'' from 1913-1928. These reports were collected into a book published in 1931 by
Paul Peter Ewald Paul Peter Ewald, FRS (January 23, 1888 in Berlin, Germany – August 22, 1985 in Ithaca, New York) was a German crystallographer and physicist, a pioneer of X-ray diffraction methods. Education Ewald received his early education in the classi ...
and
Carl Hermann Carl Heinrich Hermann (17 June 1898 – 12 September 1961), or Carl Hermann , was a German physicist and crystallographer known for his research in crystallographic symmetry, nomenclature, and mathematical crystallography in N-dimensional spa ...
which became Volume 1 of ''Strukturbericht''. While the series was continued after the war under the name ''Structure reports'', which was published through 1990, the series stopped generating new symbols. Instead, some new additional designations were given in books by Smithels, and Pearson. For the first volume, the designation consisted of a capital letter (A,B,C,D,E,F,G,H,L,M,O) specifying a broad category of compounds, and then a number to specify a particular crystal structure. In the second volume, subscript numbers were added, some early symbols were modified (e.g. what was initially D1 became D01, D2 became D02, etc.), and the categories were modified (types I,K,S were added). In the third volume, the class I was renamed J. Later designations began to use a lower case letter in subscripts as well.


A-compounds

The 'A' compounds are reserved for structures made up of atoms of all the same
chemical element A chemical element is a species of atoms that have a given number of protons in their nuclei, including the pure substance consisting only of that species. Unlike chemical compounds, chemical elements cannot be broken down into simpler sub ...
.


B-compounds

'B' designates compounds of two elements with equal numbers of atoms.


C-compounds

'C' designates compounds of the stoichiometry AB2.


D-compounds

'D' designates compounds of arbitrary stoichiometry. Originally, D1-D10 were set aside for stoichiometry AB3, D11-D20 for stoichiometry ABn for n > 3, D31-D50 for (ABn)2, and D51 up for the AmBn for arbitrary m and n.


E to K compounds

Letters between 'E' and 'K' designate more complex compounds.


L-compounds

'L' designates
intermetallic compounds An intermetallic (also called an intermetallic compound, intermetallic alloy, ordered intermetallic alloy, and a long-range-ordered alloy) is a type of metallic alloy that forms an ordered solid-state compound between two or more metallic elemen ...
.


S-compounds


See also

*
Space group In mathematics, physics and chemistry, a space group is the symmetry group of an object in space, usually in three dimensions. The elements of a space group (its symmetry operations) are the rigid transformations of an object that leave it unchan ...
*
Crystal system In crystallography, a crystal system is a set of point groups (a group of geometric symmetries with at least one fixed point). A lattice system is a set of Bravais lattices. Space groups are classified into crystal systems according to their po ...
*
Pearson symbol The Pearson symbol, or Pearson notation, is used in crystallography as a means of describing a crystal structure, and was originated by W. B. Pearson. The symbol is made up of two letters followed by a number. For example: * Diamond structure ...


References


External links

* * {{cite web, url=http://aflowlib.org/CrystalDatabase/strukturberichts.html, title=Library of Crystallographic Prototypes - Strukturbericht Designations, access-date=2020-05-01 Crystallography Crystal structure types Chemical nomenclature