Fundamentals of Powder Diffraction and Structural Characterization of Materials

✍ Scribed by Vitalij K. Pecharsky, Peter Y. Zavalij (auth.)

• Publisher: Springer US
• Year: 2009
• Tongue: English
• Leaves: 751
• Edition: 2
• Category: Library

✦ Synopsis

This new edition provides an in-depth introduction to the theories and applications of the powder diffraction method for structure determination. The emphasis is placed on powder diffraction data collected using conventional x-ray sources, which remain primary tools for thousands of researchers and students in their daily experimental work. The book is divided into two parts: chapters one though fifteen give essential theoretical background, while chapters sixteen through twenty-five guide the reader through practical aspects of extracting structural information from powder data.

Fundamentals of Powder Diffraction and Structural Characterization of Materials, Second Edition is suited for undergraduate and graduate students and practitioners from materials science, solid-state chemistry, physics, geology, and literally any other science or engineering background, who demand structural information at the atomic resolution using the powder diffraction method.

Key features of the second edition:

• The book requires no prior knowledge of the subject, but is comprehensive and detailed making it useful for both the novice and experienced user of the powder diffraction method.
• While developed as a text to teach students, the book is also a reference for academic and industrial researchers using the powder diffraction method in their daily work.
• Major revisions include

• expanded treatment of non-crystallographic symmetry
• brief introductions to the total scattering analysis and non-ambient powder diffractometry
• basics of quantitative analysis using the Rietveld method, including determination of amorphous content
• addition of a difficult pseudo-symmetric indexing case
• expanded coverage of direct space structure solution techniques
• an introduction to the mechanism of constraints, restraints and rigid bodies and a new example of structure solution of a pharmaceutical compound
• additional problems to help in assessment of students’ progress.

The book is supplemented by online content, including color figures, powder diffraction data, examples, and web links.

✦ Table of Contents

Front Matter....Pages i-xxiii
Fundamentals of Crystalline State and Crystal Lattice....Pages 1-15
Finite Symmetry Elements and Crystallographic Point Groups....Pages 17-50
Infinite Symmetry Elements and Crystallographic Space Groups....Pages 51-75
Formalization of Symmetry....Pages 77-95
Nonconventional Symmetry....Pages 97-106
Properties, Sources, and Detection of Radiation....Pages 107-132
Fundamentals of Diffraction....Pages 133-149
The Powder Diffraction Pattern....Pages 151-202
Structure Factor....Pages 203-238
Solving the Crystal Structure....Pages 239-262
Powder Diffractometry....Pages 263-300
Collecting Quality Powder Diffraction Data....Pages 301-346
Preliminary Data Processing and Phase Analysis....Pages 347-405
Determination and Refinement of the Unit Cell....Pages 407-495
Solving Crystal Structure from Powder Diffraction Data....Pages 497-545
Crystal Structure of LaNi 4.85 Sn 0.15 ....Pages 547-577
Crystal Structure of CeRhGe3....Pages 579-601
Crystal Structure of Nd 5 Si 4 ....Pages 603-610
Empirical Methods of Solving Crystal Structures....Pages 611-631
Crystal Structure of NiMnO2(OH)....Pages 633-653
Crystal Structure of ,i.tma V 3 O 7 1 ....Pages 655-667
Crystal Structure of ma 2 Mo 7 O 22 1 ....Pages 669-678
Crystal Structure of Mn 7 (OH) 3 (VO 4 ) 4 1 ....Pages 679-689
Crystal Structure of FePO 4 ....Pages 691-702
Crystal Structure of Acetaminophen, C 8 H 9 NO 2 ....Pages 703-728
Back Matter....Pages 729-741

✦ Subjects

Characterization and Evaluation of Materials;Crystallography;Atomic and Molecular Structure and Spectra;Condensed Matter;Physical Chemistry