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Solving and refining inorganic structures

Published inInternational Tables for Crystallography. Volume H, Powder Diffraction, Editors Gilmore, C.J. ; Kaduk, J.A. & Schenk, H., p. Chapter4.5,p.442-451
Publication date2019

Powder diffraction is the mostly widely used crystallographic method, with applications spanning all aspects of structural science. This new volume of International Tables for Crystallography covers all aspects of the technique with over 50 chapters written by experts in the field. Consisting of seven parts, this volume: Provides an overview of the principles of powder diffraction. Discusses the radiation sources used for powder-diffraction studies, instrumentation, the use of different sample environments and methods of sample preparation. Covers methodology, including data processing, indexing and reduction, whole-pattern modelling and quantitative analysis. An overview of the relevant crystallographic databases is also provided. Focuses on structure determination (including real- and reciprocal-space methods and the maximum-entropy method), structure refinement and structure validation. Discusses defects, texture and microstructure, including stress and strain, domain size and thin films. Reviews the available software for powder diffraction. Describes applications to many areas of industrial and academic importance, including macromolecules, minerals and mining, pharmaceuticals, ceramics, cement, superconductors, pigments, forensic science, archaeology, energy storage, petrochemicals and aluminium production. Volume H is the key reference for all powder diffractionists from beginners to advanced practitioners and has been designed to be a practical volume without sacrificing rigour. Many examples of the powder-diffraction method are discussed in detail, and in several cases the data used in the examples are available for the reader to download.

  • Inorganic Materials
  • Crystal Structure
  • Powder Diffraction
  • Inorganic structures
Research group
Citation (ISO format)
CERNY, Radovan, FAVRE-NICOLIN, Vincent. Solving and refining inorganic structures. In: International Tables for Crystallography. Volume H, Powder Diffraction. [s.l.] : IUCr, 2019. p. Chapter4.5,p.442–451.
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Book chapter (Published version)
  • PID : unige:125525

Technical informations

Creation10/31/2019 10:48:00 AM
First validation10/31/2019 10:48:00 AM
Update time03/15/2023 6:17:35 PM
Status update03/15/2023 6:17:34 PM
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