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History

The designations were established by the journal Zeitschrift für Kristallographie – Crystalline Materials, which published its first round of supplemental reviews under the name Strukturbericht from 1913-1928.⁴ These reports were collected into a book published in 1931 by Paul Peter Ewald and Carl Hermann which became Volume 1 of Strukturbericht.⁵ While the series was continued after the war under the name Structure reports, which was published through 1990,⁶ the series stopped generating new symbols. Instead, some new additional designations were given in books by Smithels,⁷ and Pearson.⁸

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, noted in the tables below as "D1 → D01"), 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.⁹

A-compounds

The 'A' compounds are reserved for structures made up of atoms of all the same chemical element.

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.¹³

E to K compounds

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

L-compounds

'L' designates intermetallic compounds.

S-compounds

See also

• Space group
• Crystal system
• Pearson symbol

External links

• "Crystal Lattice Structures: Index by Strukturbericht Designation". Retrieved 2020-05-01.
• "Library of Crystallographic Prototypes - Strukturbericht Designations". Retrieved 2020-05-01.

References

1. "Index by Strukturbericht Designation". US Naval Laboratory Center for Materials Physics and Technology. 1 Sep 1995. Archived from the original on 12 September 2019. Retrieved 6 Apr 2019. https://web.archive.org/web/20190912194828/http://aflowlib.duke.edu/users/egossett/lattice/struk/index.html ↩

2. Mehl, Michael J.; Hicks, David; Toher, Cormac; Levy, Ohad; Hanson, Robert M.; Hart, Gus; Curtarolo, Stefano (2017). "The AFLOW Library of Crystallographic Prototypes: Part 1". Computational Materials Science. 136: S1 – S828. arXiv:1806.07864. doi:10.1016/j.commatsci.2017.01.017. ISSN 0927-0256. S2CID 119490841. /wiki/ArXiv_(identifier) ↩

3. Allmann, Rudolf; Hinek, Roland (2007-08-17). "The introduction of structure types into the Inorganic Crystal Structure Database ICSD". Acta Crystallographica Section A. 63 (5). International Union of Crystallography (IUCr): 412–417. Bibcode:2007AcCrA..63..412A. doi:10.1107/s0108767307038081. ISSN 0108-7673. PMC 2525864. PMID 17703075. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2525864 ↩

4. Bragg, W. L. (1931). "Strukturbericht, 1913–1928". Nature. 128 (3230): 511–512. Bibcode:1931Natur.128..511B. doi:10.1038/128511a0. ISSN 0028-0836. S2CID 4079798. /wiki/Lawrence_Bragg ↩

5. Ewald, Paul Peter; Hermann, C. (1931). Zeitschrift für Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie. Leipzig: Akademische Verlagsgesellschaft m.b.H. /wiki/Akademische_Verlagsgesellschaft_m.b.H. ↩

6. "International Union of Crystallography: Structure reports". Retrieved 6 Apr 2019. https://www.iucr.org/publications/other/structure-reports ↩

7. Smithells, Colin J (1949). Metals reference book (2nd ed.). New York: Interscience Publishers. OCLC 568858. /wiki/OCLC_(identifier) ↩

8. Pearson, W. B. (1964). A handbook of lattice spacings and structures of metals and alloys. Oxford: Pergamon Press. doi:10.1016/C2013-0-08243-6. ISBN 978-1-4832-1318-7. OCLC 883896503. S2CID 239866683. {{cite book}}: ISBN / Date incompatibility (help) 978-1-4832-1318-7 ↩

9. Mehl, Michael J. (2019). "A Brief History of Strukturbericht Symbols and Other Crystallographic Classification Schemes". Journal of Physics: Conference Series. 1290 (1). IOP Publishing: 012016. Bibcode:2019JPhCS1290a2016M. doi:10.1088/1742-6596/1290/1/012016. ISSN 1742-6588. https://doi.org/10.1088%2F1742-6596%2F1290%2F1%2F012016 ↩

10. Keesom, W.H.; Taconis, K.W. (1936). "On the crystal structure of chlorine". Physica. 3 (1–4). Elsevier BV: 237–242. Bibcode:1936Phy.....3..237K. doi:10.1016/s0031-8914(36)80226-2. ISSN 0031-8914. /wiki/Bibcode_(identifier) ↩

11. PEASE, R. S. (1950). "Crystal Structure of Boron Nitride". Nature. 165 (4201). Springer Science and Business Media LLC: 722–723. Bibcode:1950Natur.165..722P. doi:10.1038/165722b0. ISSN 0028-0836. PMID 15416803. S2CID 2503156. /wiki/Bibcode_(identifier) ↩

12. Berastegui, P.; Hull, S. (2000). "The Crystal Structures of Thallium(I) Fluoride". Journal of Solid State Chemistry. 150 (2). Elsevier BV: 266–275. Bibcode:2000JSSCh.150..266B. doi:10.1006/jssc.1999.8587. ISSN 0022-4596. /wiki/Bibcode_(identifier) ↩

13. Mehl, Michael J. (2019). "A Brief History of Strukturbericht Symbols and Other Crystallographic Classification Schemes". Journal of Physics: Conference Series. 1290 (1). IOP Publishing: 012016. Bibcode:2019JPhCS1290a2016M. doi:10.1088/1742-6596/1290/1/012016. ISSN 1742-6588. https://doi.org/10.1088%2F1742-6596%2F1290%2F1%2F012016 ↩