| General Considerations | p. 1 |
| Introduction | p. 1 |
| Introduction | p. 1 |
| Meaning of the Word "Powder" | p. 3 |
| Sample and Specimen | p. 3 |
| Why Powder Diffraction? | p. 4 |
| Difficulties and Limitations of Powder Diffraction | p. 5 |
| Fundamentals of Diffraction | p. 5 |
| Analysis of Powder Diffraction Patterns | p. 7 |
| Powder Diffraction | p. 9 |
| History of Powder Diffraction | p. 9 |
| Programs for the Analysis of Powder Diffraction Data | p. 11 |
| Crystal Structures from Powder Diffraction Data | p. 13 |
| Pattern Decomposition for Accurate Intensities | p. 15 |
| Profile Shape Functions | p. 22 |
| Early Ab Initio Crystal Structure Determinations from Powder Diffraction Data by Pattern Decomposition | p. 26 |
| Ab Initio Structure Determination by Direct Methods in Powder Diffraction | p. 31 |
| Crystal Structures Determined by Direct Methods | p. 34 |
| Preferred Orientation in Powder Diffraction | p. 36 |
| Line Broadening: Crystallite Size, Strain and Stress | p. 37 |
| The Rietveld Method | p. 41 |
| The Rietveld Method | p. 41 |
| The Early Days of the Rietveld Method | p. 41 |
| The Method | p. 44 |
| Rietveld Refinement with X-Ray Powder Diffraction Data | p. 48 |
| Critical Assessment of the Rietveld Method | p. 51 |
| Guidelines for Rietveld Refinement | p. 56 |
| Special Applications of the Rietveld Method | p. 64 |
| Quantitative Phase Analysis by the Rietveld Method | p. 64 |
| Texture Analysis Using the Rietveld Method | p. 70 |
| The Two Stage Method | p. 73 |
| Introduction and Background | p. 73 |
| Concept of the Two Stage Method | p. 73 |
| The Two Stage Method in Comparison to Rietveld Refinement | p. 76 |
| Profile Analysis and Profile Fitting | p. 77 |
| Characteristics of Powder Diffraction Line Profiles | p. 77 |
| Outline of Profile Fitting | p. 78 |
| Profile Functions | p. 79 |
| The Instrument Function | p. 82 |
| Instrument Function with Seven Lorentzians | p. 84 |
| Determination of Integrated Intensities through Profile Fitting | p. 87 |
| Angle Dependence of the Profile Shapes | p. 88 |
| Resolution of Profile Fitting | p. 90 |
| High Resolution Powder Diffraction - Lattice Parameters | p. 91 |
| Examples of Profile Fitting in the Two Stage Method | p. 95 |
| Examples for PROFAN | p. 95 |
| Examples for HFIT | p. 98 |
| POWLS | p. 99 |
| Structure Refinement with POWLS | p. 99 |
| The Program POWLS | p. 99 |
| Preparation of a Model Structure | p. 103 |
| Observations | p. 105 |
| Refinement | p. 106 |
| Preferred Orientation | p. 106 |
| Specimen and Preferred Orientation | p. 107 |
| Specimen Preparation | p. 107 |
| Random Distribution | p. 108 |
| Calculational Corrections | p. 109 |
| Crystallite Size Effects | p. 110 |
| R-Values | p. 112 |
| General Remarks | p. 112 |
| R-Values in Powder Diffraction | p. 113 |
| Background | p. 114 |
| Dealing with Background | p. 115 |
| Background in Rietveld Programs | p. 115 |
| The Profile R-Value | p. 119 |
| The Weighted Profile R-Value | p. 120 |
| The Bragg R-Value | p. 121 |
| Conclusion | p. 125 |
| Structure Refinement by the Two Stage Method | p. 125 |
| Refinement with POWLS | p. 125 |
| Examples Using the Two Stage Method and the Program POWLS | p. 128 |
| Comparison of the Rietveld Method and the Two Stage Method | p. 128 |
| Merits and Limitations of the Rietveld Method and the Two Stage Method | p. 134 |
| Conclusion | p. 136 |
| Analysis of Quartz | p. 136 |
| Sample Preparation | p. 137 |
| Experiments | p. 137 |
| Sample Rotation during Experiments | p. 138 |
| Crystal Structure Refinement with POWLS of [alpha]-Quartz Collected with Cu K[alpha] Radiation | p. 139 |
| Refinement of [alpha]-Quartz Data Collected with Synchrotron X-Rays | p. 141 |
| Texture Analysis with the Two Stage Method Using Neutron Diffraction | p. 147 |
| Introduction | p. 147 |
| The Position Sensitive Detector Julios | p. 149 |
| Data Collection | p. 149 |
| Data Evaluation | p. 151 |
| Examples of Texture Analysis | p. 152 |
| Selected Examples for the Application of the Two Stage Method | p. 160 |
| Electron Density Distribution of an Olivine Sample by Fourier Methods | p. 160 |
| Electron Density Distribution in CeO[subscript 2] | p. 164 |
| Crystal Structure Analysis of Yb[subscript 2]O[subscript 3] | p. 167 |
| Application in High Pressure Research | p. 172 |
| Cation Distribution in a Thin Film Garnet Sample | p. 176 |
| Structure Determination from Energy Dispersive Data | p. 181 |
| Structure Determination from Energy Dispersive Data | p. 181 |
| Synchrotron Radiation | p. 182 |
| Neutron Diffraction by Time-of-Flight Measurements | p. 183 |
| Simultaneous Angle and Position Resolving Neutron Diffraction by Time-of-Flight Measurements | p. 184 |
| Electronic Zooming | p. 188 |
| Analysis of TOF Data | p. 190 |
| Laue Diffraction with Neutrons by Time-of-Flight Measurements | p. 193 |
| Conclusion | p. 194 |
| References | p. 195 |
| An Example of POWLS for Quartz | p. 203 |
| Index | p. 219 |
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