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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

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

12 Issues per year


IMPACT FACTOR 2016: 3.179

CiteScore 2016: 3.30

SCImago Journal Rank (SJR) 2016: 1.097
Source Normalized Impact per Paper (SNIP) 2016: 2.592

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2196-7105
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Volume 219, Issue 9 (Sep 2004)

Issues

Crystal structures and their enumeration via quotient graphs

Georg Thimm
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.219.9.528.44036

Abstract

Nets – and the quotient-graphs representing nets – are shown to be a powerful tool for the enumeration and analysis of crystal structures. Old and new invariants characterising nets are discussed on the base of a large set of nets. An earlier presented algorithm for the enumeration of crystal structures is revised and extended in order to permit a more directed search for structures possessing certain properties. Particular attention is given to the exclusion of nets, which, by the nature of their connectivity, can not correspond to a crystal structure.

About the article

Published Online: 2009-09-25

Published in Print: 2004-09-01


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.219.9.528.44036.

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© 2004 Oldenbourg Wissenschaftsverlag GmbH. Copyright Clearance Center

Citing Articles

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[1]
I.A. Baburin, V.A. Blatov, L. Carlucci, G. Ciani, and D.M. Proserpio
Journal of Solid State Chemistry, 2005, Volume 178, Number 8, Page 2452
[2]
Georg Thimm and Björn Winkler
Zeitschrift für Kristallographie - Crystalline Materials, 2006, Volume 221, Number 12

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