{"product_id":"structure-from-diffraction-methods-9781119953227","title":"Structure from Diffraction Methods","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003eInorganic materials show a diverse range of important properties that are desirable for many contemporary, real-world applications. Good examples include recyclable battery cathode materials for energy storage and transport, porous solids for capture and storage of gases and molecular complexes for use in electronic devices.\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003eInorganic Materials Series Preface xi \u003cp\u003ePreface xiii\u003c\/p\u003e \u003cp\u003eList of Contributors xv\u003c\/p\u003e \u003cp\u003e1 Powder Diffraction 1\u003cbr\u003e\u003ci\u003eKenneth D. M. Harris and Andrew Williams\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e1.1 Introduction 1\u003c\/p\u003e \u003cp\u003e1.2 The Similarities and Differences Between Single-Crystal nd Powder XRD 2\u003c\/p\u003e \u003cp\u003e1.3 Qualitative Aspects of Powder XRD: 'Fingerprinting' of Crystalline Phases 6\u003c\/p\u003e \u003cp\u003e1.4 Quantitative Aspects of Powder XRD: Some reliminaries Relevant to Crystal Structure Determination 8\u003c\/p\u003e \u003cp\u003e1.4.1 Relationship between a Crystal Structure and its Diffraction Pattern 8\u003c\/p\u003e \u003cp\u003e1.4.2 Comparison of Experimental and Calculated Powder XRD Patterns 10\u003c\/p\u003e \u003cp\u003e1.5 Structure Determination from Powder XRD Data 12\u003c\/p\u003e \u003cp\u003e1.5.1 Overview 12\u003c\/p\u003e \u003cp\u003e1.5.2 Unit Cell Determination (Indexing) 14\u003c\/p\u003e \u003cp\u003e1.5.3 Preparing the Intensity Data for Structure Solution: Profile Fitting 15\u003c\/p\u003e \u003cp\u003e1.5.4 Structure Solution 16\u003c\/p\u003e \u003cp\u003e1.5.5 Structure Refinement 21\u003c\/p\u003e \u003cp\u003e1.6 Some Experimental Considerations in Powder XRD 22\u003c\/p\u003e \u003cp\u003e1.6.1 Synchrotron versus Laboratory Powder XRD Data 22 \u003cbr\u003e\u003cbr\u003e1.6.2 Preferred Orientation 24\u003c\/p\u003e \u003cp\u003e1.6.3 Phase Purity of the Powder Sample 25\u003c\/p\u003e \u003cp\u003e1.6.4 Analysis of Peak Widths in Powder XRD Data 26\u003c\/p\u003e \u003cp\u003e1.6.5 Applications of Powder XRD for In Situ Studies of Structural Transformations and Chemical Processes 28\u003c\/p\u003e \u003cp\u003e1.7 Powder Neutron Diffraction versus Powder XRD 30\u003c\/p\u003e \u003cp\u003e1.8 Validation of Procedures and Results in Structure Determination from Powder XRD Data 33\u003c\/p\u003e \u003cp\u003e1.8.1 Overview 33\u003c\/p\u003e \u003cp\u003e1.8.2 Validation before Direct-Space Structure Solution 34\u003c\/p\u003e \u003cp\u003e1.8.3 Aspects of Validation following Structure Refinement 36\u003c\/p\u003e \u003cp\u003e1.9 A more Detailed Consideration of the Application of Powder XRD as a 'Fingerprint' of Crystalline Phases 40\u003c\/p\u003e \u003cp\u003e1.10 Examples of the Application of Powder XRD in Chemical Contexts 45\u003c\/p\u003e \u003cp\u003e1.10.1 Overview 45\u003c\/p\u003e \u003cp\u003e1.10.2 Structure Determination of Zeolites and Other Framework Materials 46\u003c\/p\u003e \u003cp\u003e1.10.3 In Situ Powder XRD Studies of Materials Synthesis 48\u003c\/p\u003e \u003cp\u003e1.10.4 Structure Determination of New Materials Produced by Solid-State Mechanochemistry 50\u003c\/p\u003e \u003cp\u003e1.10.5 In Situ Powder XRD Studies of Solid-State Mechanochemical Processes 53\u003c\/p\u003e \u003cp\u003e1.10.6 In Situ Powder XRD Studies of a Polymorphic Transformation 55\u003c\/p\u003e \u003cp\u003e1.10.7 In Situ Powder XRD Studies of a Solid-State Reaction 58\u003c\/p\u003e \u003cp\u003e1.10.8 Establishing Details of a Hydrogen-Bonding Arrangement by Powder Neutron Diffraction 58\u003c\/p\u003e \u003cp\u003e1.10.9 Structure Determination of a Material Produced by Rapid Precipitation from Solution 60\u003c\/p\u003e \u003cp\u003e1.10.10 Structure Determination of Intermediates in a Solid-State Reaction 62\u003c\/p\u003e \u003cp\u003e1.10.11 Structure Determination of a Novel Aluminium Methylphosphonate 62\u003c\/p\u003e \u003cp\u003e1.10.12 Structure Determination of Materials Prepared by Solid-State Dehydration\/Desolvation Processes 63\u003c\/p\u003e \u003cp\u003e1.10.13 Structure Determination of the Product Material from a Solid-State Photopolymerisation Reaction 66\u003c\/p\u003e \u003cp\u003e1.10.14 Exploiting Anisotropic Thermal Expansion in Structure Determination 68\u003c\/p\u003e \u003cp\u003e1.10.15 Rationalisation of a Solid-State Reaction 69\u003c\/p\u003e \u003cp\u003e1.10.16 Structure Determination of Organometallic Complexes 71\u003c\/p\u003e \u003cp\u003e1.10.17 Examples of Structure Determination of Some Polymeric Materials 72\u003c\/p\u003e \u003cp\u003e1.10.18 Structure Determination of Pigment Materials 73\u003c\/p\u003e \u003cp\u003e1.11 Conclusion 74\u003c\/p\u003e \u003cp\u003eReferences 75\u003c\/p\u003e \u003cp\u003e2 X-Ray and Neutron Single-Crystal Diffraction 83\u003cbr\u003e\u003ci\u003eWilliam Clegg\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e2.1 Introduction 83\u003c\/p\u003e \u003cp\u003e2.2 Solid-State Fundamentals 86\u003c\/p\u003e \u003cp\u003e2.2.1 Translation Symmetry 87\u003c\/p\u003e \u003cp\u003e2.2.2 Other Symmetry 91\u003c\/p\u003e \u003cp\u003e2.2.3 An Introduction to Non-Ideal Behaviour 98\u003c\/p\u003e \u003cp\u003e2.3 Scattering and Diffraction 101\u003c\/p\u003e \u003cp\u003e2.3.1 Fundamentals of Radiation and Scattering 102\u003c\/p\u003e \u003cp\u003e2.3.2 Diffraction of Monochromatic X-Rays 103\u003c\/p\u003e \u003cp\u003e2.3.3 Diffraction of Polychromatic X-Rays 110\u003c\/p\u003e \u003cp\u003e2.3.4 Diffraction of Neutrons 111\u003c\/p\u003e \u003cp\u003e2.3.5 Some Competing and Complicating Effects 114\u003c\/p\u003e \u003cp\u003e2.4 Experimental Methods 119\u003c\/p\u003e \u003cp\u003e2.4.1 Radiation Sources 119\u003c\/p\u003e \u003cp\u003e2.4.2 Single Crystals 124\u003c\/p\u003e \u003cp\u003e2.4.3 Measuring the Diffraction Pattern 126\u003c\/p\u003e \u003cp\u003e2.4.4 Correcting for Systematic Errors 127\u003c\/p\u003e \u003cp\u003e2.5 Structure Solution 128\u003c\/p\u003e \u003cp\u003e2.5.1 Direct Methods 130\u003c\/p\u003e \u003cp\u003e2.5.2 Patterson Synthesis 131\u003c\/p\u003e \u003cp\u003e2.5.3 Symmetry Arguments 132\u003c\/p\u003e \u003cp\u003e2.5.4 Charge Flipping 133\u003c\/p\u003e \u003cp\u003e2.5.5 Completing a Partial Structure Model 134\u003c\/p\u003e \u003cp\u003e2.6 Structure Refinement 138\u003c\/p\u003e \u003cp\u003e2.6.1 Minimisation and Weights 139\u003c\/p\u003e \u003cp\u003e2.6.2 Parameters, Constraints and Restraints 139\u003c\/p\u003e \u003cp\u003e2.6.3 Refinement Results 140\u003c\/p\u003e \u003cp\u003e2.6.4 Computer Programs for Structure Solution and Refinement 141\u003c\/p\u003e \u003cp\u003e2.7 Problem Structures, Special Topics, Validation and Interpretation 142\u003c\/p\u003e \u003cp\u003e2.7.1 Disorder 142\u003c\/p\u003e \u003cp\u003e2.7.2 Twinning 143\u003c\/p\u003e \u003cp\u003e2.7.3 Pseudosymmetry, Superstructures and Incommensurate Structures 145\u003c\/p\u003e \u003cp\u003e2.7.4 Absolute Structure 147\u003c\/p\u003e \u003cp\u003e2.7.5 Distinguishing Element Types, Oxidation States and Spin States 148\u003c\/p\u003e \u003cp\u003e2.7.6 Valence Effects 149\u003c\/p\u003e \u003cp\u003e2.7.7 Diffraction Experiments under Non-Ambient Conditions 150\u003c\/p\u003e \u003cp\u003e2.7.8 Issues of Interpretation and Validation 151\u003c\/p\u003e \u003cp\u003eSoftware Acknowledgements 153\u003c\/p\u003e \u003cp\u003eReferences 153\u003c\/p\u003e \u003cp\u003e3 PDF Analysis of Nanoparticles 155\u003cbr\u003e\u003ci\u003eReinhard B. Neder\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e3.1 Introduction 155\u003c\/p\u003e \u003cp\u003e3.2 Pair Distribution Function 160\u003c\/p\u003e \u003cp\u003e3.3 Data Collection Strategies 168\u003c\/p\u003e \u003cp\u003e3.4 Data Treatment 170\u003c\/p\u003e \u003cp\u003e3.4.1 Calculation of G(r) from a Structural Model 175\u003c\/p\u003e \u003cp\u003e3.4.2 Data Modelling 183\u003c\/p\u003e \u003cp\u003e3.5 Examples 184\u003c\/p\u003e \u003cp\u003e3.5.1 Local Disorder versus Long-Range Average Order 185\u003c\/p\u003e \u003cp\u003e3.5.2 ZnSe Nanoparticle 189\u003c\/p\u003e \u003cp\u003e3.5.3 Decorated ZnO Nanoparticle 194\u003c\/p\u003e \u003cp\u003e3.6 Complementary Techniques 197\u003c\/p\u003e \u003cp\u003eReferences 199\u003c\/p\u003e \u003cp\u003e4 Electron Crystallography 201\u003cbr\u003e\u003ci\u003eLu Han, Keiichi Miyasaka and Osamu Terasaki\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e4.1 Introduction 201\u003c\/p\u003e \u003cp\u003e4.2 Crystal Description 203\u003c\/p\u003e \u003cp\u003e4.2.1 Fourier Transformation and Related Functions 203\u003c\/p\u003e \u003cp\u003e4.2.2 Lattices 204\u003c\/p\u003e \u003cp\u003e4.2.3 Crystals and Crystal Structure Factors 205\u003c\/p\u003e \u003cp\u003e4.2.4 Simple Description of Babinet's Principle 206\u003c\/p\u003e \u003cp\u003e4.3 Electron Microscopy 208\u003c\/p\u003e \u003cp\u003e4.3.1 Interaction between Electrons and Matter 208\u003c\/p\u003e \u003cp\u003e4.3.2 Scanning Electron Microscopy 209\u003c\/p\u003e \u003cp\u003e4.3.3 Transmission Electron Microscopy 214\u003c\/p\u003e \u003cp\u003e4.4 Electron Diffraction 216\u003c\/p\u003e \u003cp\u003e4.4.1 X-Rays (Photons) versus Electrons 216\u003c\/p\u003e \u003cp\u003e4.4.2 Scattering Power of an Atom 217\u003c\/p\u003e \u003cp\u003e4.4.3 Crystal Structure and Electron Diffraction 219\u003c\/p\u003e \u003cp\u003e4.4.4 Relationship between Real and Reciprocal Space 221\u003c\/p\u003e \u003cp\u003e4.4.5 Friedel's Law and Phase Restriction 223\u003c\/p\u003e \u003cp\u003e4.4.6 Information on the 0th, 1st and Higher-Order Laue Zone 224\u003c\/p\u003e \u003cp\u003e4.4.7 Determining Unit Cell Dimensions and Crystal Symmetry 226\u003c\/p\u003e \u003cp\u003e4.4.8 Convergent Beam Electron Diffraction 227\u003c\/p\u003e \u003cp\u003e4.5 Imaging 229\u003c\/p\u003e \u003cp\u003e4.5.1 Crystal Structure and TEM Images 229\u003c\/p\u003e \u003cp\u003e4.5.2 Image Resolution 230\u003c\/p\u003e \u003cp\u003e4.5.3 Limitation of Structural Resolution 231\u003c\/p\u003e \u003cp\u003e4.5.4 Electrostatic Potential and Structure Factors 232\u003c\/p\u003e \u003cp\u003e4.5.5 Image Simulation 235\u003c\/p\u003e \u003cp\u003e4.6 The EC Method of Solving Crystal Structures 235\u003c\/p\u003e \u003cp\u003e4.6.1 1D Structures 236\u003c\/p\u003e \u003cp\u003e4.6.2 2D Structures 239\u003c\/p\u003e \u003cp\u003e4.6.3 3D Structures 240\u003c\/p\u003e \u003cp\u003e4.7 Other TEM Techniques 249\u003c\/p\u003e \u003cp\u003e4.7.1 STEM and HAADF 249\u003c\/p\u003e \u003cp\u003e4.7.2 Electron Tomography 249\u003c\/p\u003e \u003cp\u003e4.7.3 3D Electron Diffraction 252\u003c\/p\u003e \u003cp\u003e4.8 Conclusion 255\u003c\/p\u003e \u003cp\u003eAcknowledgment 256\u003c\/p\u003e \u003cp\u003eReferences 256\u003c\/p\u003e \u003cp\u003e5 Small-Angle Scattering 259\u003cbr\u003e\u003ci\u003eTheyencheri Narayanan\u003c\/i\u003e\u003c\/p\u003e \u003cp\u003e5.1 Introduction 259\u003c\/p\u003e \u003cp\u003e5.2 General Principles of SAS 261\u003c\/p\u003e \u003cp\u003e5.2.1 Momentum Transfer 261\u003c\/p\u003e \u003cp\u003e5.2.2 Differential Scattering Cross-Section 262\u003c\/p\u003e \u003cp\u003e5.2.3 Non-Interacting Systems 264\u003c\/p\u003e \u003cp\u003e5.2.4 Influence of Polydispersity 266\u003c\/p\u003e \u003cp\u003e5.2.5 Asymptotic Forms of I(q) 268\u003c\/p\u003e \u003cp\u003e5.2.6 Multilevel Structures 269\u003c\/p\u003e \u003cp\u003e5.2.7 Non-Particulate Systems 272\u003c\/p\u003e \u003cp\u003e5.2.8 Structure Factor of Interactions 273\u003c\/p\u003e \u003cp\u003e5.2.9 Highly Ordered Structures 275\u003c\/p\u003e \u003cp\u003e5.3 Instrumental Set-Up for SAXS 279\u003c\/p\u003e \u003cp\u003e5.3.1 Synchrotron Source 280\u003c\/p\u003e \u003cp\u003e5.3.2 X-Ray Optics 281\u003c\/p\u003e \u003cp\u003e5.3.3 X-Ray Detectors 283\u003c\/p\u003e \u003cp\u003e5.3.4 SAXS Instrument Layout 284\u003c\/p\u003e \u003cp\u003e5.4 Instrumental Set-Up for SANS 285\u003c\/p\u003e \u003cp\u003e5.4.1 Neutron Sources 286\u003c\/p\u003e \u003cp\u003e5.4.2 Neutron Optics 287\u003c\/p\u003e \u003cp\u003e5.4.3 Neutron Detectors 288\u003c\/p\u003e \u003cp\u003e5.4.4 SANS Instrument Layout 289\u003c\/p\u003e \u003cp\u003e5.4.5 Combination with Wide-Angle Scattering 290\u003c\/p\u003e \u003cp\u003e5.4.6 Instrumental Smearing Effects 292\u003c\/p\u003e \u003cp\u003e5.4.7 Sample Environments 293\u003c\/p\u003e \u003cp\u003e5.5 Application of SAS Methods 294\u003c\/p\u003e \u003cp\u003e5.5.1 Real-Time and In Situ Studies 295\u003c\/p\u003e \u003cp\u003e5.5.2 Ultra Small-Angle Scattering 303\u003c\/p\u003e \u003cp\u003e5.5.3 Contrast Variation in SAS 308\u003c\/p\u003e \u003cp\u003e5.5.4 Grazing-Incidence SAS 314\u003c\/p\u003e \u003cp\u003e5.6 Conclusion 318\u003c\/p\u003e \u003cp\u003eAcknowledgements 318\u003c\/p\u003e \u003cp\u003eReferences 319\u003c\/p\u003e \u003cp\u003eIndex 325\u003c\/p\u003e","brand":"John Wiley \u0026 Sons Inc","offers":[{"title":"Default Title","offer_id":49407193547095,"sku":"9781119953227","price":81.86,"currency_code":"GBP","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0817\/1739\/5799\/files\/9781119953227.jpg?v=1730498507","url":"https:\/\/bookcurl.com\/products\/structure-from-diffraction-methods-9781119953227","provider":"Book Curl","version":"1.0","type":"link"}