Structure and Bonding in crystals

List of Contributors

Preface

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

References


15 Interatomic Distance Predictions for Computer Simulation of Crystal Structures

I. Computer Simulation

II. Predictions of Interatomic Distances

III. Conclusion

References


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

I. Introduction

II. Procedure

III. Results and Discussion

References


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

References


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

References


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

References


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

References


21 Graph Theoretic Enumeration of Structure Types: A Review

I. Introduction

II. Mathematical Methods

III. Crystallographic Applications

IV. Unsolved Problems

References


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

References


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

References


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

References


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

References


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

References

Index