000			09117nam a22005053i 4500
001			EBC1712954
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005			20240729122836.0
006			m o d |
007			cr cnu||||||||
008			240724s2014 xx o ||||0 eng d
020			_a9781118695715 _q(electronic bk.)
020			_z9781119953227
035			_a(MiAaPQ)EBC1712954
035			_a(Au-PeEL)EBL1712954
035			_a(CaPaEBR)ebr10902336
035			_a(CaONFJC)MIL633681
035			_a(OCoLC)881571476
040			_aMiAaPQ _beng _erda _epn _cMiAaPQ _dMiAaPQ
050		4	_aQD461
100	1		_aBruce, Duncan W.
245	1	0	_aStructure from Diffraction Methods.
250			_a1st ed.
264		1	_aNewark : _bJohn Wiley & Sons, Incorporated, _c2014.
264		4	_c©2014.
300			_a1 online resource (356 pages)
336			_atext _btxt _2rdacontent
337			_acomputer _bc _2rdamedia
338			_aonline resource _bcr _2rdacarrier
490	1		_aInorganic Materials Series
505	0		_aCover -- Title Page -- Copyright -- Contents -- Inorganic Materials Series Preface -- Preface -- List of Contributors -- Chapter 1 Powder Diffraction -- 1.1 Introduction -- 1.2 The Similarities and Differences between Single-Crystal XRD and Powder XRD -- 1.3 Qualitative Aspects of Powder XRD: Fingerprinting of Crystalline Phases -- 1.4 Quantitative Aspects of Powder XRD: Some Preliminaries Relevant to Crystal Structure Determination -- 1.4.1 Relationship between a Crystal Structure and its Diffraction Pattern -- 1.4.2 Comparison of Experimental and Calculated Powder XRD Patterns -- 1.5 Structure Determination from Powder XRD Data -- 1.5.1 Overview -- 1.5.2 Unit Cell Determination (Indexing) -- 1.5.3 Preparing the Intensity Data for Structure Solution: Profile Fitting -- 1.5.4 Structure Solution -- 1.5.5 Structure Refinement -- 1.6 Some Experimental Considerations in Powder XRD -- 1.6.1 Synchrotron versus Laboratory Powder XRD Data -- 1.6.2 Preferred Orientation -- 1.6.3 Phase Purity of the Powder Sample -- 1.6.4 Analysis of Peak Widths in Powder XRD Data -- 1.6.5 Applications of Powder XRD for In Situ Studies of Structural Transformations and Chemical Processes -- 1.7 Powder Neutron Diffraction versus Powder XRD -- 1.8 Validation of Procedures and Results in Structure Determination from Powder XRD Data -- 1.8.1 Overview -- 1.8.2 Validation before Direct-Space Structure Solution -- 1.8.3 Aspects of Validation following Structure Refinement -- 1.9 More Detailed Consideration of the Application of Powder XRD as a Fingerprint of Crystalline Phases -- 1.10 Examples of the Application of Powder XRD in Chemical Contexts -- 1.10.1 Overview -- 1.10.2 Structure Determination of Zeolites and Other Framework Materials -- 1.10.3 In Situ Powder XRD Studies of Materials Synthesis.
505	8		_a1.10.4 Structure Determination of New Materials Produced by Solid-State Mechanochemistry -- 1.10.5 In Situ Powder XRD Studies of Solid-State Mechanochemical Processes -- 1.10.6 In Situ Powder XRD Studies of a Polymorphic Transformation -- 1.10.7 In Situ Powder XRD Studies of a Solid-State Reaction -- 1.10.8 Establishing Details of a Hydrogen-Bonding Arrangement by Powder Neutron Diffraction -- 1.10.9 Structure Determination of a Material Produced by Rapid Precipitation from Solution -- 1.10.10 Structure Determination of Intermediates in a Solid-State Reaction -- 1.10.11 Structure Determination of a Novel Aluminium Methylphosphonate -- 1.10.12 Structure Determination of Materials Prepared by Solid-State Dehydration/Desolvation Processes -- 1.10.13 Structure Determination of the Product Material from a Solid-State Photopolymerisation Reaction -- 1.10.14 Exploiting Anisotropic Thermal Expansion in Structure Determination -- 1.10.15 Rationalisation of a Solid-State Reaction -- 1.10.16 Structure Determination of Organometallic Complexes -- 1.10.17 Examples of Structure Determination of Some Polymeric Materials -- 1.10.18 Structure Determination of Pigment Materials -- 1.11 Concluding Remarks -- References -- Chapter 2 X-Ray and Neutron Single-Crystal Diffraction -- 2.1 Introduction -- 2.2 Solid-State Fundamentals -- 2.2.1 Translation Symmetry -- 2.2.2 Other Symmetry -- 2.2.3 An Introduction to Non-Ideal Behaviour -- 2.3 Scattering and Diffraction -- 2.3.1 Fundamentals of Radiation and Scattering -- 2.3.2 Diffraction of Monochromatic X-Rays -- 2.3.3 Diffraction of Polychromatic X-Rays -- 2.3.4 Diffraction of Neutrons -- 2.3.5 Some Competing and Complicating Effects -- 2.4 Experimental Methods -- 2.4.1 Radiation Sources -- 2.4.2 Single Crystals -- 2.4.3 Measuring the Diffraction Pattern -- 2.4.4 Correcting for Systematic Errors -- 2.5 Structure Solution.
505	8		_a2.5.1 Direct Methods -- 2.5.2 Patterson Synthesis -- 2.5.3 Symmetry Arguments -- 2.5.4 Charge Flipping -- 2.5.5 Completing a Partial Structure Model -- 2.6 Structure Refinement -- 2.6.1 Minimisation and Weights -- 2.6.2 Parameters, Constraints and Restraints -- 2.6.3 Refinement Results -- 2.6.4 Computer Programs for Structure Solution and Refinement -- 2.7 Problem Structures, Special Topics, Validation and Interpretation -- 2.7.1 Disorder -- 2.7.2 Twinning -- 2.7.3 Pseudosymmetry, Superstructures and Incommensurate Structures -- 2.7.4 Absolute Structure -- 2.7.5 Distinguishing Element Types, Oxidation States and Spin States -- 2.7.6 Valence Effects -- 2.7.7 Diffraction Experiments under Non-Ambient Conditions -- 2.7.8 Issues of Interpretation and Validation -- Software Acknowledgements -- References -- Chapter 3 PDF Analysis of Nanoparticles -- 3.1 Introduction -- 3.2 Pair Distribution Function -- 3.3 Data Collection Strategies -- 3.4 Data Treatment -- 3.4.1 Calculation of G(r) from a Structural Model -- 3.4.2 Data Modelling -- 3.5 Examples -- 3.5.1 Local Disorder versus Long-Range Average Order -- 3.5.2 ZnSe Nanoparticle -- 3.5.3 Decorated ZnO Nanoparticle -- 3.6 Complementary Techniques -- References -- Chapter 4 Electron Crystallography -- 4.1 Introduction -- 4.2 Crystal Description -- 4.2.1 Fourier Transformation and Related Functions -- 4.2.2 Lattices -- 4.2.3 Crystals and Crystal Structure Factors -- 4.2.4 Simple Description of Babinets Principle -- 4.3 Electron Microscopy -- 4.3.1 Interaction between Electrons and Matter -- 4.3.2 Scanning Electron Microscopy -- 4.3.3 Transmission Electron Microscopy -- 4.4 Electron Diffraction -- 4.4.1 X-Rays (Photons) versus Electrons -- 4.4.2 Scattering Power of an Atom -- 4.4.3 Crystal Structure and Electron Diffraction -- 4.4.4 Relationship between Real and Reciprocal Space.
505	8		_a4.4.5 Friedels Law and Phase Restriction -- 4.4.6 Information on the 0th, 1st and Higher-Order Laue Zone -- 4.4.7 Determining Unit Cell Dimensions and Crystal Symmetry -- 4.4.8 Convergent Beam Electron Diffraction -- 4.5 Imaging -- 4.5.1 Crystal Structure and TEM Images -- 4.5.2 Image Resolution -- 4.5.3 Limitation of Structural Resolution -- 4.5.4 Electrostatic Potential and Structure Factors -- 4.5.5 Image Simulation -- 4.6 The EC Method of Solving Crystal Structures -- 4.6.1 1D Structures -- 4.6.2 2D Structures -- 4.6.3 3D Structures -- 4.7 Other TEM Techniques -- 4.7.1 STEM and HAADF -- 4.7.2 Electron Tomography -- 4.7.3 3D Electron Diffraction -- 4.8 Conclusion -- Acknowledgment -- References -- Chapter 5 Small-Angle Scattering -- 5.1 Introduction -- 5.2 General Principles of SAS -- 5.2.1 Momentum Transfer -- 5.2.2 Differential Scattering Cross-Section -- 5.2.3 Non-Interacting Systems -- 5.2.4 Influence of Polydispersity -- 5.2.5 Asymptotic Forms of I(q) -- 5.2.6 Multilevel Structures -- 5.2.7 Non-Particulate Systems -- 5.2.8 Structure Factor of Interactions -- 5.2.9 Highly Ordered Structures -- 5.3 Instrumental Set-Up for SAXS -- 5.3.1 Synchrotron Source -- 5.3.2 X-Ray Optics -- 5.3.3 X-Ray Detectors -- 5.3.4 SAXS Instrument Layout -- 5.4 Instrumental Set-Up for SANS -- 5.4.1 Neutron Sources -- 5.4.2 Neutron Optics -- 5.4.3 Neutron Detectors -- 5.4.4 SANS Instrument Layout -- 5.5 Additional Requirements for SAS -- 5.5.1 Combination with Wide-Angle Scattering -- 5.5.2 Instrumental Smearing Effects -- 5.5.3 Sample Environments -- 5.6 Application of SAS Methods -- 5.6.1 Real-Time and In Situ Studies -- 5.6.2 Ultra Small-Angle Scattering -- 5.6.3 Contrast Variation in SAS -- 5.6.4 Grazing-Incidence SAS -- 5.7 Conclusion -- Acknowledgements -- References -- Index.
588			_aDescription based on publisher supplied metadata and other sources.
590			_aElectronic reproduction. Ann Arbor, Michigan : ProQuest Ebook Central, 2024. Available via World Wide Web. Access may be limited to ProQuest Ebook Central affiliated libraries.
650		0	_aInorganic compounds - Spectra.
655		4	_aElectronic books.
700	1		_aO'Hare, Dermot.
700	1		_aWalton, Richard I.
776	0	8	_iPrint version: _aBruce, Duncan W. _tStructure from Diffraction Methods _dNewark : John Wiley & Sons, Incorporated,c2014 _z9781119953227
797	2		_aProQuest (Firm)
830		0	_aInorganic Materials Series
856	4	0	_uhttps://ebookcentral.proquest.com/lib/orpp/detail.action?docID=1712954 _zClick to View
999			_c37097 _d37097