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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Tiekink, E. R. T.

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Volume 226, Issue 2


A new computer tool at the Bilbao Crystallographic Server to detect and characterize pseudosymmetry

Cesar Capillas
  • 1 Universidad del Pais Vasco, Departamento de Fisica de la Materia Condensada, Bilbao, Spanien
  • Other articles by this author:
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/ Emre Sururi Tasci / Gemma de la Flor / Danel Orobengoa / Juan Manuel Perez-Mato
  • 5 Universidad del Pais Vasco, Departamento de Fisica de la Materia Condensada, Bilbao, Spanien
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Mois Ilia Aroyo
Published Online: 2011-01-12 | DOI: https://doi.org/10.1524/zkri.2011.1321


New ferroelectrics can be predicted by considering the existence of pseudosymmetry with respect to a higher symmetry structure using the so-called atomic displacement method and investigating the minimal supergroups of the given structure’s space group. This analysis can be performed with the new version of the computer program PSEUDO, located at the Bilbao Crystallographic Server. After defining the procedures for the detection and quantification of pseudosymmetry, we present the new program, illustrating its use with worked cases of polar structures from the literature which are either known or reported as possible ferroelectrics.

Keywords: Pseudosymmetry; Ferroelectrics; Space groups; Computer software

About the article

* Correspondence address: Universidad del Pais Vasco, Fisica de la Materia Condensada, Apartado 644, 48080 Bilbao, Spanien,

Published Online: 2011-01-12

Published in Print: 2011-02-01

Citation Information: Zeitschrift für Kristallographie Crystalline Materials, Volume 226, Issue 2, Pages 186–196, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2011.1321.

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