Principles and applications of powder diffraction: ed. by Abraham Clearfield ...
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|---|---|
| Format: | Book |
| Language: | English |
| Published: |
Ames, Iowa
Wiley
2008
|
| Edition: | 1. ed. |
| Subjects: | |
| Online Access: | Inhaltsverzeichnis |
| Physical Description: | X, 386 S. Ill., graph. Darst. |
| ISBN: | 9781405162227 1405162228 |
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Record in the Search Index
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| adam_text | Titel: Principles and applications of powder diffraction
Autor: Clearfield, Abraham
Jahr: 2008
Contents
Preface ix
List of Contributors xi
1 An Overview of Powder Diffraction 1
Lachlan M.D. Cranswick
1.1 Introduction 1
1.2 Range of fields using powder diffraction 6
1.3 Advantages of powder diffraction 6
1.4 Limitations of powder diffraction 17
1.5 Pitfalls, misconceptions and requirements 28
1.6 Comparison to single-crystal diffraction 32
1.7 Applications using powder diffraction 37
1.8 Conclusion 58
Acknowledgments 58
References 58
Appendix A.1 List of available software relevant to powder diffraction 62
2 Introduction to Diffraction 73
Abraham Clearfield
2.1 Introduction to X-ray diffraction 73
2.2 Solving the geometric problem 77
2.3 Scattering theory and treatment of X-ray diffraction data 88
2.4 The intensity formula (Nuffield, 1966) 95
2.5 The reciprocal lattice (Buerger, 1942; Ladd and Palmer, 2003) 97
2.6 Crystal symmetry and space groups (Buerger, 1971; Hammond, 2004) 102
References 121
3 Practical Aspects 123
Joseph H. Reibenspies and Nattamai Bhuvanesh
3.1 Generation of X-rays: general concepts and terminology 123
3.2 Typical laboratory experimental setups 126
3.3 X-ray optics: monochromators and Göbel mirrors 132
3.4 Detection of X-rays: general concepts and terminology 132
vi Contents
3.5 Specimen mounting methods: general concepts and terminology 143
3.6 Data collection: general concepts 150
3.7 Pitfalls and errors 154
References 155
4 Profile Analysis 158
Amt Kern
4.1 Introduction 158
4.2 Origin of line profile shapes 158
4.3 Convolution-based profile fitting 178
References 196
5 Introduction to Non-Laboratory Radiation Sources 199
Peter J. Chupas andKarena W. Chapman
5.1 Introduction to non-laboratory radiation sources 199
5.2 Synchrotron radiation instrumentation 209
5.3 Neutron diffraction instrumentation 217
5.4 Resources 223
References 223
6 Phase Identification and Quantitative Methods 226
Pamela Whitfleld and Lyndon Mitchell
6.1 Introduction 226
6.2 Sample preparation for phase ID and quantitative analysis 227
6.3 Data collection 234
6.4 Powder diffraction as a fingerprint method 236
6.5 Phase matching using the powder diffraction file - search-match
routines 242
6.6 Profile fitting 246
6.7 Assigning hkls and cell parameter refinement 248
6.8 Quantitative phase determination in the absence of structural
information 251
6.9 Conclusions 258
Acknowledgment 258
References 259
7 Structure Solution 261
Armel Le Bail
7.1 An overview of structure solution by powder methods 261
7.2 Indexing a powder diffraction pattern: a bottleneck 264
7.3 Space group determination, intensities extraction 274
7.4 Classical (Patterson and direct) methods of structure solution 280
7.5 Direct space methods of structure solution 289
7.6 Structure prediction and powder diffraction 297
7.7 Structure solution from multiple powder patterns and multiple
techniques 299
Contents
7.8 Conclusion 301
References 302
8 Structure Refinement 310
James A. Kaduk
8.1 An introduction to Rietveld refinement 310
8.2 Statistical and graphical measures of a refinement 311
8.3 Functions for describing peak shapes, backgrounds, and diffuse
scattering 317
8.4 Refinement strategies 323
8.5 Use of chemical knowledge in Rietveld refinement - organic examples 326
8.6 Use of chemical knowledge in Rietveld refinement - inorganic examples 332
8.7 X-ray/neutron combined refinement - inorganic examples 346
8.8 Quantitative analysis by Rietveld refinement 352
8.9 Limitations of Rietveld refinement 360
Acknowledgments 361
References 361
9 Other Topics 365
E. Andrew Payzant
9.1 Size/strain determination 365
9.2 Non-ambient diffraction methods (temperature, pressure, humidity) 369
9.3 In situ diffraction experiments 372
9.4 An introduction to PDF analysis 376
9.5 Summary 378
References 378
Index 381
|
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| ctrlnum | (OCoLC)820361852 (DE-599)BVBBV025522700 |
| discipline | Physik |
| edition | 1. ed. |
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| illustrated | Illustrated |
| indexdate | 2024-07-09T22:35:55Z |
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| isbn | 9781405162227 1405162228 |
| language | English |
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| physical | X, 386 S. Ill., graph. Darst. |
| publishDate | 2008 |
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| spelling | Principles and applications of powder diffraction ed. by Abraham Clearfield ... 1. ed. Ames, Iowa Wiley 2008 X, 386 S. Ill., graph. Darst. txt rdacontent n rdamedia nc rdacarrier Pulvermethode (DE-588)4176353-1 gnd rswk-swf Röntgendiffraktometrie (DE-588)4336833-5 gnd rswk-swf Röntgendiffraktometrie (DE-588)4336833-5 s Pulvermethode (DE-588)4176353-1 s DE-604 Clearfield, Abraham edt HBZ Datenaustausch application/pdf http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=020130784&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA Inhaltsverzeichnis |
| spellingShingle | Principles and applications of powder diffraction ed. by Abraham Clearfield ... Pulvermethode (DE-588)4176353-1 gnd Röntgendiffraktometrie (DE-588)4336833-5 gnd |
| subject_GND | (DE-588)4176353-1 (DE-588)4336833-5 |
| title | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_auth | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_exact_search | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_full | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_fullStr | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_full_unstemmed | Principles and applications of powder diffraction ed. by Abraham Clearfield ... |
| title_short | Principles and applications of powder diffraction |
| title_sort | principles and applications of powder diffraction ed by abraham clearfield |
| title_sub | ed. by Abraham Clearfield ... |
| topic | Pulvermethode (DE-588)4176353-1 gnd Röntgendiffraktometrie (DE-588)4336833-5 gnd |
| topic_facet | Pulvermethode Röntgendiffraktometrie |
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