Patterson functions

Author:

Flack Howard D.1

Affiliation:

1. Chimie minérale, analytique et appliquée, University of Geneva, Switzerland

Abstract

Abstract The paper deals with |F|2, A and D Patterson functions. The information available in the various volumes of International Tables for Crystallography is detailed. A and D are defined and the reason for their use is explained. The symmetry of these functions is explained. Calculation by symmetry-adapted Patterson functions and the Fast-Fourier algorithm are described. There are two examples. There is a very useful table presenting the relevant information.

Publisher

Walter de Gruyter GmbH

Subject

Inorganic Chemistry,Condensed Matter Physics,General Materials Science

Reference23 articles.

1. H. D. Flack, M. Sadki, A. L. Thompson, D. Watkin, Practical applications of averages and differences of Friedel opposites. Acta Crystallogr. A2011, 67, 21.

2. S.-V. Ackerbauer, H. Bormann, H.-B. Bürgi, H. D. Flack, Y. Grin, A. Linden, L. Palatinus, W. B. Schweizer, R. Warshamanage, M. Wörle, TiGePt – a study of Friedel differences. Acta Crystallogr. B2013, 69, 457.

3. Th. Hahn, (ed). International Tables for Crystallography. Vol. A. Space-group Symmetry, 5th edition, Kluwer, Dordrecht, 2002.

4. U. Shmueli, (ed.) International Tables for Crystallography. Vol. B, Reciprocal Space, 3rd edition, Kluwer, Dordrecht, 2008.

5. U. Shmueli, Symmetry in reciprocal space. Part 1.4. In International Tables for Crystallography. Vol. B, Reciprocal Space, 3rd edition, (Ed. U. Shmueli) Kluwer, Dordrecht, 2008.

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