Powder Diffraction

A little over ?ve years have passed since the ?rst edition of this book appeared in print. Seems like an instant but also eternity, especially considering numerous developments in the hardware and software that have made it from the laboratory test beds into the real world of powder diffraction. This prompted a revision, which had to be beyond cosmetic limits. The book was, and remains focused on standard laboratory powder diffractometry. It is still meant to be used as a text for teaching students about the capabilities and limitations of the powder diffraction method. We also hope that it goes beyond a simple text, and therefore, is useful as a reference to practitioners of the technique. The original book had seven long chapters that may have made its use as a text - convenient. So the second edition is broken down into 25 shorter chapters. The ?rst ?fteen are concerned with the fundamentals of powder diffraction, which makes it much more logical, considering a typical 16-week long semester. The last ten ch- ters are concerned with practical examples of structure solution and re?nement, which were preserved from the ?rst edition and expanded by another example – R solving the crystal structure of Tylenol .

Powder diffraction is one of the primary techniques used to characterize materials, providing structural information even when the crystallite size is too small for single crystal x-ray diffraction methods. There has been a significant increase in the application of powder diffraction in recent years, both in research and manufacturing, fuelled by improved instrumentation, data processing and awareness of the information that can be obtained. Powder diffraction allows for rapid, non-destructive analysis of multi-component mixtures without the need for extensive sample preparation. This gives laboratories the ability to quickly analyse unknown materials and perform materials characterization in such fields as chemistry, materials science, geology, mineralogy, forensics, archaeology, and the biological and pharmaceutical sciences. This book provides a concise introduction to modern powder diffraction methods with particular emphasis on practical aspects. It covers the background theory of diffraction in a form approachable by those with an undergraduate degree. Whilst individual chapters are written as stand alone sections, the text is sufficiently focused so that it can be read in its entirety by the non-specialist who wants to gain a rapid overview of what they can do with modern powder diffraction methods.

X-ray diffraction crystallography for powder samples is a well-established and widely used method. It is applied to materials characterization to reveal the atomic scale structure of various substances in a variety of states. The book deals with fundamental properties of X-rays, geometry analysis of crystals, X-ray scattering and diffraction in polycrystalline samples and its application to the determination of the crystal structure. The reciprocal lattice and integrated diffraction intensity from crystals and symmetry analysis of crystals are explained. To learn the method of X-ray diffraction crystallography well and to be able to cope with the given subject, a certain number of exercises is presented in the book to calculate specific values for typical examples. This is particularly important for beginners in X-ray diffraction crystallography. One aim of this book is to offer guidance to solving the problems of 90 typical substances. For further convenience, 100 supplementary exercises are also provided with solutions. Some essential points with basic equations are summarized in each chapter, together with some relevant physical constants and the atomic scattering factors of the elements.

Crystal structure analysis from powder diffraction data has attracted considerable and ever growing interest in the last decades. X-ray powder diffraction is best known for phase analysis (Hanawalt files) dating back to the 30s. In the late 60s the inherent potential of powder diffraction for crystallographic problems was realized and scientists developed methods for using powder diffraction data at first only for the refinement of crystal structures. With the development of ever growing computer power profile fitting and pattern decomposition allowed to extract individual intensities from overlapping diffraction peaks opening the way to many other applications, especially to ab initio structure determination. Powder diffraction today is used in X-ray and neutron diffraction, where it is a powerful method in neutron diffraction for the determination of magnetic structures. In the last decade the interest has dramatically improved. There is hardly any field of crystallography where the Rietveld, or full pattern method has not been tried with quantitative phase analysis the most important recent application.

Rigorous graduate-level text stresses modern applications to nonstructural problems such as temperature vibration effects, order-disorder phenomena, crystal imperfections, more. Problems. Six Appendixes include tables of values. Bibliographies.

When bombarded with X-rays, solid materials produce distinct scattering patterns similar to fingerprints. X-ray powder diffraction is a technique used to fingerprint solid samples, which are then identified and cataloged for future use-much the way the FBI keeps fingerprints on file. The current database of some 70,000 material prints has been put to a broad range of uses, from the analysis of moon rocks to testing drugs for purity. Introduction to X-ray Powder Diffractometry fully updates the achievements in the field over the past fifteen years and provides a much-needed explanation of the state-of-the-art techniques involved in characterizing materials. It covers the latest instruments and methods, with an emphasis on the fundamentals of the diffractometer, its components, alignment, calibration, and automation. The first three chapters outline diffraction theory in clear language, accessible to both students and professionals in chemistry, physics, geology, and materials science. The book's middle chapters describe the instrumentation and procedures used in X-ray diffraction, including X-ray sources, X-ray detection, and production of monochromatic radiation. The chapter devoted to instrument design and calibration is followed by an examination of specimen preparation methods, data collection, and reduction. The final two chapters provide in-depth discussions of qualitative and quantitative analysis. While the material is presented in an orderly progression, beginning with basic concepts and moving on to more complex material, each chapter stands on its own and can be studied independently or used as a professional reference. More than 230 illustrations and tables demonstrate techniques and clarify complex material. Self-contained, timely, and user-friendly, Introduction to X-ray Powder Diffractometry is an enormously useful text and professional reference for analytical chemists, physicists, geologists and materials scientists, and upper-level undergraduate and graduate students in materials science and analytical chemistry. X-ray powder diffraction-a technique that has matured significantly in recent years-is used to identify solid samples and determine their composition by analyzing the so-called "fingerprints" they generate when X-rayed. This unique volume fulfills two major roles: it is the first textbook devoted solely to X-ray powder diffractometry, and the first up-to-date treatment of the subject in 20 years. This timely, authoritative volume features: * Clear, concise descriptions of both theory and practice-including fundamentals of diffraction theory and all aspects of the diffractometer * A treatment that reflects current trends toward automation, covering the newest instrumentation and automation techniques * Coverage of all the most common applications, with special emphasis on qualitative and quantitative analysis * An accessible presentation appropriate for both students and professionals * More than 230 tables and illustrations Introduction to X-ray Powder Diffractometry, a collaboration between two internationally known and respected experts in the field, provides invaluable guidance to anyone using X-ray powder diffractometers and diffractometry in materials science, ceramics, the pharmaceutical industry, and elsewhere.