Tabulation of irreducible representations of the crystallographic space groups and their superspace extensions

New tables of irreducible representations (IRs) are introduced for the 230 crystallographic space groups (SGs) in three‐dimensional space, at both special and non‐special k vectors, and for their extensions to (3 + d)‐dimensional superspace (`superspace‐extended SGs' or SSESGs). Neither a tabul...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Acta crystallographica. Section A, Foundations of crystallography Foundations of crystallography, 2013-07, Vol.69 (4), p.388-395
Hauptverfasser: Stokes, Harold T., Campbell, Branton J., Cordes, Ryan
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:New tables of irreducible representations (IRs) are introduced for the 230 crystallographic space groups (SGs) in three‐dimensional space, at both special and non‐special k vectors, and for their extensions to (3 + d)‐dimensional superspace (`superspace‐extended SGs' or SSESGs). Neither a tabulation of SG IR matrices for non‐special k vectors nor a tabulation of SSESG IR matrices for d > 1 have been previously published. These tabulations are made possible by a new form in which the IR matrices of SGs are separated as a product of a translation part T and a point‐operation part P, and where the IR matrices of SSESGs are separated as a product of a phase‐shift part Q and a point‐operation part Ps. Both T and Q have a simple prescribed form that does not need to be tabulated. Also, the new IR matrices are in a convenient block form which allows one to see by inspection which parts of the matrices and the associated order parameters belong to which arm of the star of k. In addition to complex IR matrices, real physically irreducible representation (PIR) matrices are tabulated. The new IR and PIR tables are available on the ISO‐IR website (http://stokes.byu.edu/iso/irtables.php) in both convenient human‐readable and computer‐readable forms.
ISSN:0108-7673
1600-5724
2053-2733
DOI:10.1107/S0108767313007538