International Tables for Crystallography Volume H: Powder diffraction

✍ Scribed by C. J. Gilmore, J. A. Kaduk, H. Schenk (Eds.)

• Publisher: Wiley
• Year: 2019
• Tongue: English
• Leaves: 929
• Series: IUCr Series. International Tables of Crystallography
• Edition: 1
• Category: Library

✦ Synopsis

Powder diffraction is the most widely used crystallographic method with applications spanning all aspects of structural science. This volume of International Tables covers all aspects of the technique with over 50 chapters written by experts in the field.

The volume contains seven parts:

Part 1 provides an introduction to the principles of powder diffraction.
Part 2 covers instrumentation for laboratory X-ray studies, synchrotron, neutron and electron diffraction, 2D diffraction, and special environments (temperature, pressure, magnetic fields, reaction cells). Sample preparation is also covered.
Part 3 describes the different methodologies used in powder diffraction.
Part 4 covers structure determination and validation.
Part 5 discusses defects, texture and microstructure: stress and strain, grain size and thin films.
Part 6 provides a useful review of available software.
Part 7 describes applications to many areas of industrial and academic importance including: macromolecules, zeolites, mining, ceramics, cement, forensic science, archaeology and pharmaceuticals. Both the theory and applications are discussed.

Volume H is the key reference for all powder diffractionists from beginners to advanced practitioners. It has been designed to be a practical volume without sacrificing rigour. Many examples of the method are discussed in detail and in several cases the data used are available to download.

✦ Table of Contents

Contributing authors
Contents
Preface
1.1. Overview and principles of powder diffraction
2.1. Instrumentation for laboratory X-ray scattering techniques
2.2. Synchrotron radiation and powder diffraction
2.3. Neutron powder diffraction
2.4. Electron powder diffraction
2.5. Two-dimensional powder diffraction
2.6. Non-ambient-temperature powder diffraction
2.7. High-pressure devices
2.8. Powder diffraction in external electric and magnetic fields
2.9. Cells for in situ powder-diffraction investigation of chemical reactions
2.10. Specimen preparation
3.1. The optics and alignment of the divergent-beam laboratory X-ray powder diffractometer and its calibration using NIST standard reference materials
3.2. The physics of diffraction from powders
3.3. Powder diffraction peak profiles
3.4. Indexing a powder diffraction pattern
3.5. Data reduction to |Fhkl| values
3.6. Whole powder pattern modelling: microstructure determination from powder diffraction data
3.7. Crystallographic databases and powder diffraction
3.8. Clustering and visualization of powder-diffraction data
3.9. Quantitative phase analysis
3.10. Accuracy in Rietveld quantitative phase analysis with strictly monochromatic Mo and Cu radiations
4.1. An overview of currently used structure determination methods for powder diffraction data
4.2. Solving crystal structures using reciprocal-space methods
4.3. Real-space methods for structure solution from powder-diffraction data: application to
molecular structures
4.4. The use of supplementary information to solve crystal structures from powder diffraction
4.5. Solving and refining inorganic structures
4.6. Zeolites
4.7. Rietveld refinement
4.8. Application of the maximum-entropy method to powder-diffraction data
4.9. Structure validation
4.10. Use of CIF for powder diffraction data
5.1. Domain size and domain-size distributions
5.2. Stress and strain
5.3. Quantitative texture analysis and combined analysis
5.4. Thin films and multilayers
5.5. Multigrain crystallography and three-dimensional grain mapping
5.6. X-ray diffraction from non-crystalline materials: the Debye model
5.7. Nanometre-scale structure from powder diffraction: total scattering and atomic pair distribution function analysis
5.8. Scattering methods for disordered heterogeneous materials
6.1. Survey of computer programs for powder diffraction
7.1. Macromolecular powder diffraction
7.2. Forensic applications of X-ray powder diffraction
7.3. Materials for energy storage and conversion
7.4. Powder diffraction in art and archaeology
7.5. Powder diffraction and pharmaceuticals
7.6. Selected applications of Rietveld analysis in the aluminium industry
7.7. Mining and mineral processing
7.8. Ceramic materials
7.9. Applications in glass-ceramics
7.10. Industrial organic pigments
7.11. Powder diffraction in the petroleum and petrochemical industries
7.12. Powder-diffraction characterization of cements
7.13. Powder diffraction of superconductors
7.14. Powder diffraction by minerals
Subject index

✦ Subjects

crystallography