Tables for
Volume B
Reciprocal space
Edited by U. Shmueli

International Tables for Crystallography (2006). Vol. B, Preface.

Preface to the second edition

U. Shmuelia*

aSchool of Chemistry, Tel Aviv University, 69 978 Tel Aviv, Israel
Correspondence e-mail:

The first edition of Volume B appeared in 1993, and was followed by a corrected reprint in 1996. Although practically all the material for the second edition was available in early 1997, its publication was delayed by the decision to translate all of Volume B, and indeed all the other volumes of International Tables for Crystallography, to Standard Generalized Markup Language (SGML) and thus make them available also in an electronic form suitable for modern publishing procedures.

During the preparation of the second edition, most chapters that appeared in the first edition have been corrected and/or revised, some were rather extensively updated, and five new chapters were added. The overall structure of the second edition is outlined below.

After an introductory chapter, Part 1[link] presents the reader with an account of structure-factor formalisms, an extensive treatment of the theory, algorithms and crystallographic applications of Fourier methods, and treatments of symmetry in reciprocal space. These are here enriched with more advanced aspects of representations of space groups in reciprocal space.

In Part 2[link] , these general accounts are followed by detailed expositions of crystallographic statistics, the theory of direct methods, Patterson techniques, isomorphous replacement and anomalous scattering, and treatments of the role of electron microscopy and diffraction in crystal structure determination. The latter topic is here enhanced by applications of direct methods to electron crystallography.

Part 3[link] , Dual Bases in Crystallographic Computing, deals with applications of reciprocal space to molecular geometry and `best'-plane calculations, and contains a treatment of the principles of molecular graphics and modelling and their applications; it concludes with the presentation of a convergence-acceleration method, of importance in the computation of approximate lattice sums.

Part 4[link] contains treatments of various diffuse-scattering phenomena arising from crystal dynamics, disorder and low dimensionality (liquid crystals), and an exposition of the underlying theories and/or experimental evidence. The new additions to this part are treatments of polymer crystallography and of reciprocal-space images of aperiodic crystals.

Part 5[link] contains introductory treatments of the theory of the interaction of radiation with matter, the so-called dynamical theory, as applied to X-ray, electron and neutron diffraction techniques. The chapter on the dynamical theory of neutron diffraction is new.

I am deeply grateful to the authors of the new contributions for making their expertise available to Volume B and for their excellent collaboration. I also take special pleasure in thanking those authors of the first edition who revised and updated their contributions in view of recent developments. Last but not least, I wish to thank all the authors for their contributions and their patience, and am grateful to those authors who took my requests seriously. I hope that the updating and revision of future editions will be much easier and more expedient, mainly because of the new format of International Tables.

Four friends and greatly respected colleagues who contributed to the second edition of Volume B are no longer with us. These are Professors Arthur J. C. Wilson, Peter Goodman, Verner Schomaker and Boris K. Vainshtein. I asked Professors Michiyoshi Tanaka, John Cowley and Douglas Dorset if they were prepared to answer queries related to the contributions of the late Peter Goodman and Boris K. Vainshtein to Chapter 2.5[link] . I am most grateful for their prompt agreement.

This editorial work was carried out at the School of Chemistry and the Computing Center of Tel Aviv University. The facilities they put at my disposal are gratefully acknowledged on my behalf and on behalf of the IUCr. I wish to thank many colleagues for interesting conversations and advice, and in particular Professor Theo Hahn with whom I discussed at length problems regarding Volume B and International Tables in general.

Given all these expert contributions, the publication of this volume would not have been possible without the expertise and devotion of the Technical Editors of the IUCr. My thanks go to Mrs Sue King, for her cooperation during the early stages of the work on the second edition of Volume B, while the material was being collected, and to Dr Nicola Ashcroft, for her collaboration during the final stages of the production of the volume, for her most careful and competent treatment of the proofs, and last but not least for her tactful and friendly attitude.

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