Structure and Bonding in crystals

Structure and Bonding in crystals

1st Edition - January 1, 1981

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  • Editor: Alexandra Nsvrotsky
  • eBook ISBN: 9780323153430

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Structure and Bonding in Crystals, Volume II discusses the factors determining crystal structure. This book examines the principles of structure and bonding in complex solids. Divided into 13 parts, this volume begins with an overview of the development of atomic pseudopotentials and the discovery that they could be applied directly to atoms in crystals. This book then provides an understanding of other relevant topics, including ionic radii, bond strength, and bond length. Other chapters focus on the problems of classifying complex solids and describe the relationship between their structures. This text also describes the alloy structure to help know how compounds react or transform. This book further explores the geometrical relationships between different structure types in crystals. The final chapter deals with the contribution of Mooser and Pearson in the study of energy-band theory and chemical bonding. Solid-state physicists and chemists, geophysicists, metallurgists, and ceramists will find this book extremely useful.

Table of Contents

  • List of Contributors


    Contents of Volume I

    14 The Bond-Valence Method: An Empirical Approach to Chemical Structure and Bonding

    I. Summary

    II. Introduction

    III. Basic Concepts of the Bond-Valence Theory

    IV. Correlations with Experiment

    V. Distortion Theorem

    VI. The Valence-Matching Principle

    VII. The Chemistry of Solids with Water

    VIII. Prediction of Structure

    IX. Acid-Acid Bonds and Lone Pairs

    X. Conclusions

    Appendix: Parameters for Calculating Bond Valences


    15 Interatomic Distance Predictions for Computer Simulation of Crystal Structures

    I. Computer Simulation

    II. Predictions of Interatomic Distances

    III. Conclusion


    16 Bond Distances in Sulfides and a Preliminary Table of Sulfide Crystal Radii

    I. Introduction

    II. Procedure

    III. Results and Discussion


    17 Energetics of Phase Transitions in AX, ABO3, and AB2O4 Compounds

    I. Introduction

    II. AX Structures

    III. ABO3 Structures

    IV. AB2O4 Structures: Olivine (α) , Spinel (γ), and Modified Spinel (β)

    V. Entropies of High-Pressure Phase Transitions: Some Crystal Chemical Considerations

    VI. Conclusions


    18 Crystal Chemical Effects on Geophysical Equilibria

    I. Introduction

    II. Polymorphism in the Compounds of the Model Equilibria

    III. Geophysical Consequences of Polymorphism in the Model Reactions

    IV. Crystal Chemical Conclusions


    19 Module Structure Variation with Temperature, Pressure, and Composition: A Key to the Stability of Modular Structures

    I. Introduction

    II. Variations of Crystal Structure

    III. Stability of Modular Arrangements

    IV. Conclusions


    20 Theoretical Prediction of Ordered Superstructures in Metallic Alloys

    I. Introduction

    II. The State of Order

    III. Examples and Applications of the Theory

    IV. Conclusion


    21 Graph Theoretic Enumeration of Structure Types: A Review

    I. Introduction

    II. Mathematical Methods

    III. Crystallographic Applications

    IV. Unsolved Problems


    22 Polytypism in Complex Crystals: Contrasts between Mica and Classical Polytypes

    I. Introduction

    II. Idealized Mica Polytypes

    III. The Mica Space Groups

    IV. Less Idealized Micas

    V. The Classical Polytypes

    VI. Imperfect Polytypes


    23 The Influence of Cation Properties on the Conformation of Silicate and Phosphate Anions

    I. Introduction and Methods

    II. Computational Results of the Regression Analysis of Single-Chain Silicates and Phosphates

    III. Interpretation of the Results of the Regression Analysis

    IV. Consequences and Predictions Based on the Results of the Regression Analyses

    V. Summary


    24 The Description of Complex Alloy Structures

    I. Introduction

    II. The Geometry in One, Two, and Three Dimensions

    III. The Tetrahedrally Close-Packed Alloy Structures

    IV. Intergrowth and Some Cubic Structures

    V. Conclusions


    25 Structural Features of Rare-Earth-Rich-Transition-Metal Alloys

    I. Introduction

    II. Formation of Rare-Earth-Transition-Metal Compounds

    III. Rare-Earth Alloy Structures Characterized by Centered Trigonal Rare-Earth Prisms

    IV. Structures Built up with Trigonal Prisms R6T and Cubes R8R

    V Structures without Trigonal Prisms

    VI. Concluding Remarks


    26 On Polycompounds: Polycationic and Polyanionic Tetrelides, Pnictides, and Chalcogenides

    I. Introduction

    II. The Mooser-Pearson Rule

    III. The Occurrence of M-M and X-X Bonds in Relation to the Periodic Table

    IV. Derivation of Polyanionic Coordinations and Structures

    V. Semiconductor → Metal Transitions



Product details

  • No. of pages: 376
  • Language: English
  • Copyright: © Academic Press 1981
  • Published: January 1, 1981
  • Imprint: Academic Press
  • eBook ISBN: 9780323153430

About the Editor

Alexandra Nsvrotsky

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