Modern Crystallography 2 (3^rd Ed., 3rd ed. 2000. Softcover reprint of the original 3rd ed. 2000)
Structure of Crystals

1. Principles of Formation of the Atomic Structure of Crystals.- 1.1 The Structure of Atoms.- 1.1.1 A Crystal as an Assembly of Atoms.- 1.1.2 Electrons in an Atom.- 1.1.3 Multielectron Atoms and the Periodic System.- 1.2 Chemical Bonding Between Atoms.- 1.2.1 Types of Chemical Bonding.- 1.2.2 Ionic Bond.- 1.2.3 Covalent Bond. Valence-Bond Method.- 1.2.4 Hybridization. Conjugation.- 1.2.5 Molecular-Orbital (MO) Method.- 1.2.6 Covalent Bond in Crystals.- 1.2.7 Electron Density in a Covalent Bond.- 1.2.8 Metallic Bond.- 1.2.9 Weak (van der Waals) Bonds.- 1.2.10 Hydrogen Bonds.- 1.2.11 Magnetic Ordering.- 1.3 Energy of the Crystal Lattice.- 1.3.1 Experimental Determination of the Crystal Energy.- 1.3.2 Calculation of the Potential Energy.- 1.3.3 Organic Structures.- 1.4 Crystallochemical Radii Systems.- 1.4.1 Interatomic Distances.- 1.4.2 Atomic Radii.- 1.4.3 Ionic Radii.- 1.4.4 The System of Atomic-Ionic Radii of a Strong Bond.- 1.4.5 System of Intermolecular Radii.- 1.4.6 Weak- and Strong-Bond Radii.- 1.5 Geometric Regularities in the Atomic Structure of Crystals.- 1.5.1 The Physical and the Geometric Model of a Crystal.- 1.5.2 Structural Units of a Crystal.- 1.5.3 Maximum-Filling Principle.- 1.5.4 Relationship Between the Symmetry of Structural Units and Crystal Symmetry.- 1.5.5 Statistics of the Occurrence of Space Groups.- 1.5.6 Coordination.- 1.5.7 Classification of Structures According to the Dimensionality of Structural Groupings.- 1.5.8 Coordination Structures.- 1.5.9 Relationship Between Coordination and Atomic Sizes.- 1.5.10 Closest Packings.- 1.5.11 Structures of Compounds Based on Close Packing of Spheres.- 1.5.12 Insular, Chain and Layer Structures.- 1.6 Solid Solutions and Isomorphism.- 1.6.1 Isostructural Crystals.- 1.6.2 Isomorphism.- 1.6.3 Substitutional Solid Solutions.- 1.6.4 Interstitial Solid Solutions.- 1.6.5 Modulated and Incommensurate Structures.- 1.6.6 Composite Ultrastructures.- 2. Principal Types of Crystal Structures.- 2.1 Crystal Structures of Elements.- 2.1.1 Principal Types of Structures of Elements.- 2.1.2 Cystallochemical Properties of Elements.- 2.2 Intermetallic Structures.- 2.2.1 Solid Solutions and Their Ordering.- 2.2.2 Electron Compounds.- 2.2.3 Intermetallic Compounds.- 2.3 Structures with Bonds of Ionic Nature.- 2.3.1 Structures of Halides, Oxides, and Salts.- 2.3.2 Silicates.- 2.3.3 Superionic Conductors.- 2.4 Covalent Structures.- 2.5 Structure of Complex and Related Compounds.- 2.5.1 Complex Compounds.- 2.5.2 Compounds with Metal Atom Clusters.- 2.5.3 Metal-Molecular Bonds (? Complexes of Transition Metals).- 2.5.4 Compounds of Inert Elements.- 2.6 Principles of Organic Crystal Chemistry.- 2.6.1 The Structure of Organic Molecules.- 2.6.2 Symmetry of Molecules.- 2.6.3 Packing of Molecules in a Crystal.- 2.6.4 Crystals with Hydrogen Bonds.- 2.6.5 Clathrate and Molecular Compounds.- 2.7 Structure of High-Polymer Substances.- 2.7.1 Noncrystallographic Ordering.- 2.7.2 Structure of Chain Molecules of High Polymers.- 2.7.3 Structure of a Polymer Substance.- 2.7.4 Polymer Crystals.- 2.7.5 Disordering in Polymer Structures.- 2.8 Structure of Liquid Crystals.- 2.8.1 Molecule Packing in Liquid Crystals.- 2.8.2 Types of Liquid-Crystal Ordering.- 2.9 Structures of Substances of Biological Origin.- 2.9.1 Types of Biological Molecules.- 2.9.2 Principles of Protein Structure.- 2.9.3 Fibrous Proteins.- 2.9.4 Globular Proteins.- 2.9.5 Structure of Nucleic Acids.- 2.9.6 Structure of Viruses.- 3.Band Energy Structure of Crystals.- 3.1 Electron Motion in the Ideal Crystal.- 3.1.1 Schrödinger Equation and Born-Karman Boundary Conditions.- 3.1.2 Energy Spectrum of an Electron.- 3.2 Brillouin Zones.- 3.2.1 Energy Spectrum of an Electron in the Weak-Bond Approximation.- 3.2.2 Faces of Brillouin Zones and the Laue Condition.- 3.2.3 Band Boundaries and the Structure Factor.- 3.3 Isoenergetic Surfaces. Fermi Surface and Band Structure.- 3.3.1 Energy Spectrum of an Electron in the Strong-Bond Approximation.- 3.3.2 Fermi Surfaces.- 4. Lattice Dynamics and Phase Transitions.- 4.1 Atomic Vibrations in a Crystal.- 4.1.1 Vibrations of a Linear Atomic Chain.- 4.1.2 Vibration Branches.- 4.1.3 Phonons.- 4.2 Heat Capacity, Thermal Expansion, and Thermal Conductivity of Crystals.- 4.2.1 Heat Capacity.- 4.2.2 Linear Thermal Expansion.- 4.2.3 Thermal Conductivity.- 4.3 Polymorphism. Phase Transitions.- 4.3.1 Phase Transitions of the First and Second Order.- 4.3.2 Phase Transitions and the Structure.- 4.4 Atomic Vibrations and Polymorphous Transitions.- 4.5 Ordering-Type Phase Transitions.- 4.6 Phase Transitions and Electron-Phonon Interaction.- 4.6.1 Contribution of Electrons to the Free Energy of the Crystal.- 4.6.2 Interband Electron-Phonon Interaction.- 4.6.3 Photostimulated Phase Transitions.- 4.6.4 Curie Temperature and the Energy Gap Width.- 4.7 Debye’s Equation of State and Griineisen’s Formula.- 4.8 Phase Transitions and Crystal Symmetry.- 4.8.1 Second-Order Phase Transitions.- 4.8.2 Description of Second-Order Transitions with an Allowance for the Symmetry.- 4.8.3 Phase Transitions Without Changing the Number of Atoms in the Unit Cell of a Crystal.- 4.8.4 Changes in Crystal Properties on Phase Transitions.- 4.8.5 Properties of Twins (Domains) Forming on Phase Transformations.- 4.8.6 Stability of the Homogeneous State of the Low-Symmetry Phase.- 5. The Structure of Real Crystals.- 5.1 Classification of Crystal Lattice Defects.- 5.2 Point Defects of the Crystal Lattice.- 5.2.1 Vacancies and Interstitial Atoms.- 5.2.2 Role of Impurities, Electrons, and Holes.- 5.2.3 Effect of External Influences.- 5.3 Dislocations.- 5.3.1 Burgers Circuit and Vector.- 5.3.2 Elastic Field of Straight Dislocation.- 5.3.3 Dislocation Reactions.- 5.3.4 Polygonal Dislocations.- 5.3.5 Curved Dislocations.- 5.4 Stacking Faults and Partial Dislocations.- 5.5 Continuum Description of Dislocations.- 5.5.1 Disloeation-Density Tensor.- 5.5.2 Example: A Dislocation Row.- 5.5.3 Scalar Dislocation Density.- 5.6 Subgrain Boundaries (Mosaic Structures) in Crystals.- 5.6.1 Examples of Subgrain Boundaries: A Tilt Boundary and a Twist Boundary.- 5.6.2 The Dislocation Structure of the Subgrain Boundry in General.- 5.6.3 Subgrain Boundary Energy.- 5.6.4 Incoherent Boundaries.- 5.7 Twins 375.- 5.7.1 Twinning Operations.- 5.7.2 Twinning with a Change in Crystal Shape.- 5.7.3 Twinning Without a Change in Shape.- 5.8 Direct Observation of Lattice Defects.- 5.8.1 Ionic Microscopy.- 5.8.2 Electron Microscopy.- 5.8.3 X-Ray Topography.- 5.8.4 Photoelasticity Method.- 5.8.5 Selective Etching Method.- 5.8.6 Investigation of the Crystal Surface.- 6. Advances in Structural Crystallography.- 6.1 Development of Structure Analysis. Data Banks.- 6.2 Fullerenes and Füllendes.- 6.2.1 Fullerenes.- 6.2.2 C60 Crystals.- 6.3 Crystal Chemistry of Silicates and Related Compounds.- 6.3.1 Main Features of the Silicate Structures.- 6.3.2 Insular Anionic Tetrahedron Complexes in Silicates.- 6.3.3 Anionic Tetrahedron Complexes in the Form of Rings and Chains.- 6.3.4 Framework Silicates.- 6.3.5 Theoretical Methods for the Calculation of Silicate Structures.- 6.4 Structure of Superconductors.- 6.4.1 Superconductivity.- 6.4.2 High-Temperature Superconductors (HTSCs).- 6.4.3 Structure of MeCuO4 High-Tc Superconductors.- 6.4.4 Atomic Structure of Y-Ba-Cu Phases.- 6.4.5 Atomic Structure of Tl-Phases of High-Tc Superconductors.- 6.4.6 Specific Features of the Structure of HTSCs.- 6.5 Modular Structures, Blocks, and Fragments.- 6.5.1 The Notion of Modular Structures (MS).- 6.5.2 Relationship Between Different Types of Modular Structures.- 6.5.3 Symbolic Notations of MS 434.- 6.5.4 Structure-Property Relations for MS.- 6.6 X-Ray Analysis for Studying Chemical Bonding.- 6.7 Organic Crystal Chemistry.- 6.7.1 Organic Structures.- 6.7.2 Large Organic Molecules.- 6.7.3 Secondary Bonds.- 6.8 Structure Investigation of Biomolecular Crystals.- 6.8.1 Progress in the Methods of X-Ray Macromolecular Crystallography.- 6.8.2 Investigation of Protein Structure by the Nuclear Magnetic Resonance (NMR) Method.- 6.8.3 Dynamics of Protein Molecules.- 6.8.4 Data on the Structure of Large Proteins.- 6.8.5 X-Ray Investigation of Ribosomes.- 6.8.6 Virus Structures.- 6.9 Ordering in Liquid Crystals.- 6.9.1 Smectic A Polymorphism in Liquid Crystals (LC) Containing Polar Molecules.- 6.9.2 Smectic Lamellar Crystalline Phases and Hexatics.- 6.9.3 Freely Suspended Smectic Films.- 6.9.4 Cholesteric Blue Phases.- 6.9.5 Ohter Liquid Crystalline Phases.- 6.10 Langmuir-Blodgett Films.- 6.10.1 Principles of Formation.- 6.10.2 Chemical Composition, Properties and Applications of LB Films.- 6.10.3 Structure of LB Films.- 6.10.4 Multicomponent Langmuir-Blodgett Films. Superlattices.- 6.11 Photo- and Thermostimulated Phase Transitions in Ferroelectrics.- 6.11.1 Photostimulated Phase Transitions in Ferroelectrics.- 6.11.2 Thermostimulated Phase Transitions in Ferroelectrics.- References.