Crystal Structure Determination

1 Introduction

2 Crystal Lattices

3 The Geometry of X-Ray Diffraction

4 The Reciprocal Lattice

5 Structure Factors

6 Crystal Symmetry

7 Experimental Methods

8 Structure Solution

9 Structure Refinement

10 Additional Topics

11 Errors and Pitfalls

12 Interpretation and Presentation of Results

13 Crystallographic Databases

14 Outline of a Crystal Structure Determination

15 Worked Example of a Structure Determination

From the reviews:

"Distinguished by its attention to the practicalities of working with real crystals...a lucid and relatively concise account of modern crystal structure solution ...valuable to anyone who has an interest in crystal structure refinement." The Geological Journal

"The book provides a nice balance between describing the mathematical fundamentals and offering practical advice on how to solve a crystal structure... appropriate for an undergraduate audience (particularly in chemistry) and for graduate students or researchers who find they need a better grasp of the subject... a very helpful addition to the collection of introductory texts in X-ray crystallography. Especially for its treatment of common errors in the collection of intensity data and in the interpretation of results."

Acta Crystallographica

"Details at great length the inherent pitfalls and errors that one may encounter when calculating crystal structures using new software programs. The author does an excellent job of describing these errors and ways to recognize them when they appear in your calculations." Mineralium Deposita

From the reviews of the second edition:

"This textbook gives a concise introduction to modern crystal structure determination ... . The theoretical sections are supported by many illustrations, and lay emphasis on a good understanding ... . The most important data collection techniques ... are discussed from a practical point of view. Many tips and insights help readers to recognise and avoid possible errors and traps, and to judge the quality of results." (Chimie Nouvelle Societe Royale de Chimie, Vol. 23 (89), juin, 2005)

"'Crystal Structure Determination' gives a concise introduction to the subject, with particular emphasis placed on the manner in which contemporary analysis actually occurs. ... The strengths of this book are numerous. The presentation is excellent: the diagrams are plentiful and