Book Review: (3) Crystal Structure Determination 2nd Edition
"Crystal Structure Determination" gives a concise introduction to the subject, with particular emphasis placed on the manner in which contemporary analysis actually occurs. The second edition has been completely updated, most notably the chapter describing experimental methods where description of area-detector techniques has replaced much of the material on "classic" methods. The book is aimed principally at students of chemistry who wish to undertake their own structure determinations or to interpret more effectively crystallographic results, encouraging them to "take a look inside the black box". The author takes the view that it is important to attain a broad appreciation of the basic principles as they apply in the crystallographic arena and treats the fundamentals as briefly and intuitively as possible. The resulting text is relatively short - ca. 200 pages - with a distinctly "matter-of-fact" attitude; the information content is high and there is no unnecessary "padding".
The text follows a logical path through the subject, starting from a description of the crystalline state and the nature of X-ray diffraction, continuing with experimental techniques, structure solution and structure refinement, and arriving at two chapters describing errors and the interpretation of results. The overwhelming feel of the discussion is one of brevity. In places this leads to beautifully lucid descriptions, for example in the introduction of the reciprocal lattice. In other parts, however, the discussion is perhaps a little too brief to stand entirely in isolation and reference to more detailed texts might be beneficial. As an example, direction vectors [111], [210], etc. are quite naturally employed within a description of symmetry in the crystal systems, but prior definition of the notation is overlooked. While the discussion remains quite clear - often admirably so - to the more experienced reader, such anomalies might be frustrating to the genuine novice.
The chapter concerning experimental techniques constitutes the major revision from the 1st Edition and warrants particular mention. The focus on area-detector methods makes for one of the most up-to-date discussions currently available in a textbook of this kind. Some description of film methods and serial diffractometers remains, giving a well-balanced chapter that is a most welcome addition. This chapter also contains one light-hearted highpoint of the book, namely the author's valiant attempt to describe the ever-changing face of instrument manufacturers: "Diffractometers operating in this way are manufactured by ... Bruker-AXS (formerly Bruker, formerly Siemens, formerly Nicolet, formerly Syntex, formerly Scintag)".
Several notable features appear towards the end of the book. There is a brief but up-to-date description of crystallographic databases and the final chapter describes a worked example of a structure determination. As is the case throughout the book, the focus is placed on the SHELX suite of programs. Some references to other programs are made through the text, and there is a relatively comprehensive appendix, but the author's particular program preference is clear. That possible restriction aside, the annotation of the various input and output files from the SHELX programs are genuinely informative and offer welcome insight into the perceived "black box". Admittedly, the tutorial follows a somewhat similar line to the examples presented in the SHELX manual, but it is well placed within the context of the preceding text and thereby perhaps a little more accessible. It should certainly prove to be a useful exercise for new SHELX users.
The strengths of this book are numerous. The presentation is excellent: the diagrams are plentiful and often impressive, and the formatting of the text is very pleasing to the eye. Particularly appealing is the "swashbuckling" depiction of the character theta, bringing a lively flourish to each sentence in which it appears. The book constitutes an excellent concise reference, with a resoundingly up-to-date and relevant feel. It contains many helpful tips and practical insights that help to distinguish it from other books of this type. As a first introduction to the subject, it is perhaps a little overwhelming. The brevity of the discussion, in particular the early treatment of the fundamentals, gives a somewhat intimidating feel in places. For the author's target audience, however - the research chemist with a desire to appreciate more fully a technique that they are likely to use with increasing frequency - the book should be a helpful companion.
Andrew Bond