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Introduction | |
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Crystal Lattices | |
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The Lattice | |
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The Unit Cell | |
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Atom Parameters | |
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The Seven Crystal Systems | |
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The Fourteen Bravais Lattices | |
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The Hexagonal, Trigonal and Rhombohedral Systems | |
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The Reduced Cell | |
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The Geometry of X-Ray Diffraction | |
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X-Rays | |
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Interference by a One-Dimensional Lattice | |
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The Laue Equations | |
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Lattice Planes and hkl-Indices | |
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The Bragg Equation | |
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Higher Orders of Diffraction | |
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The Quadratic Form of the Bragg Equation | |
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The Reciprocal Lattice | |
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From the Direct to the Reciprocal Lattice | |
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The Ewald Construction | |
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Structure Factors | |
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Atom Formfactors | |
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Atom Displacement Factors | |
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Structure Factors | |
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Crystal Symmetry | |
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Simple Symmetry Elements | |
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Coupling of Symmetry Elements | |
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Combination of Symmetry Elements | |
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Symmetry Directions | |
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Symmetry Elements Involving Translation | |
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Combination of Translation with Other Symmetry Elements | |
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Coupling of Translation with Other Symmetry Elements | |
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The 230 Space Groups | |
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Space-group Notation in International Tables for Crystallography | |
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Centrosymmetric Crystal Structures | |
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The Asymmetric Unit | |
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Space Group Types | |
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Group-Subgroup Relationships | |
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Visible Effects of Symmetry | |
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Microscopic Structure | |
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Macroscopic Properties and Crystal Classes | |
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Symmetry of the Lattice | |
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Symmetry of the Diffraction Pattern--The Laue Groups | |
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Determination of the Space Group | |
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Determination of the Laue Group | |
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Systematic Absences | |
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Transformations | |
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Experimental Methods | |
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Growth, Choice and Mounting of a Single Crystal | |
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Measuring the Diffraction Pattern of Single Crystals | |
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Film Methods | |
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The Four-circle (serial) Diffractometer | |
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Reflection profile and scan type | |
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Area Detector Systems | |
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Data Reduction | |
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Lp correction | |
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Standard Uncertainty | |
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Absorption Correction | |
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Other Diffraction Methods | |
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Neutron Scattering | |
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Electron Scattering | |
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Structure Solution | |
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Fourier Transforms | |
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Patterson Methods | |
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Symmetry in Patterson Space | |
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Structure Solution Using Harker Peaks | |
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Patterson shift methods | |
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Direct Methods | |
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Harker-Kasper Inequalities | |
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Normalized Structure Factors | |
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The Sayre Equation | |
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The Triplet Relationship | |
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Origin Fixation | |
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Strategies of Phase Determination | |
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Structure Refinement | |
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The Method of Least Squares | |
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Refinement Based on F[subscript o] or F[superscript 2 subscript o] Data | |
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Weights | |
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Crystallographic R-Values | |
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Refinement Techniques | |
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Location and Treatment of Hydrogen Atoms | |
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Restricted Refinement | |
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Damping | |
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Symmetry Restrictions | |
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Residual Electron Density | |
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Rietveld Refinement | |
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Additional Topics | |
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Disorder | |
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Site Occupancy Disorder | |
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Positional and Orientational Disorder | |
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One- and Two-Dimensional Disorder | |
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Modulated Structures | |
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Quasicrystals | |
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Anomalous Dispersion and "Absolute Structure" | |
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Chiral and Polar Space Groups | |
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Extinction | |
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The Renninger Effect | |
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The [lambda]/2-Effect | |
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Thermal Diffuse Scattering (TDS) | |
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Errors and Pitfalls | |
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Wrong Atom-Types | |
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Twinning | |
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Classification by the Twin-Element | |
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Classification According to Macroscopic Appearance | |
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Classification According to Origin | |
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Diffraction Patterns of Twinned Crystals and their Interpretation | |
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Twinning or Disorder? | |
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False Unit Cells | |
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Space Group Errors | |
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Misplaced Origins | |
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Poor Atom Displacement Parameters | |
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Interpretation and Presentation of Results | |
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Bond Lengths and Bond Angles | |
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Best Planes and Torsion Angles | |
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Structural Geometry and Symmetry | |
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Structural Diagrams | |
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Electron Density | |
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Crystallographic Databases | |
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The Inorganic Crystal Structure Database (ICSD) | |
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The Cambridge Structural Database (CSD) | |
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The Metals Crystallographic Data File (CRYST-MET) | |
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Other Collections of Crystal Structure Data | |
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Deposition of Structural Data in Data Bases | |
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Crystallography on the Internet | |
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Outline of a Crystal Structure Determination | |
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Worked Example of a Structure Determination | |
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Bibliography | |
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Index | |