Crystallography and Crystal Chemistry

✍ Scribed by Ubic R.

• Publisher: Springer
• Year: 2024
• Tongue: English
• Leaves: 457
• Category: Library

✦ Synopsis

Crystallography and Crystal Chemistry by Rick Ubic book pdf download, and this textbook introduces readers to the language, concepts, and tools of crystallography, as well as many aspects of crystal chemistry. Important topics, such as bonding, electronegativity, lattice energy, symmetry operations, crystal defects, and structure-property relationships are covered. Worked examples are included where appropriate. By uniquely combining elements of crystallography and crystal chemistry, the text is a useful and accessible resource for students across many disciplines.
Chapter summaries and example problems are included to optimize use by students and faculty in both graduate and undergraduate curricula. Historical context to relevant discoveries and biographical sketches of many of the scientists involved in the development of this field are also provided to expand the student’s knowledge of both solid-state science and scientists.

✦ Table of Contents

Cover
Half Title
Crystallography and Crystal Chemistry
Copyright
Dedication
Preface
Contents
About the Author
1. Introduction
1.1 What Is Crystallography?
1.2 A History Lesson
Review Questions
Works Cited
2. Crystals
2.1 What Is a Crystal?
2.2 Crystals Without Periodicity
2.3 Lattice Planes and Miller Indices
2.3.1 Hexagonal Lattices and Miller-Bravais Indices
2.4 Lattice Directions
2.4.1 Hexagonal Lattices
Review Questions
Works Cited
3. Point Symmetry
3.1 Point Symmetry Operations
3.1.1 Identity
3.1.2 Rotational Symmetry
3.1.3 Reflection/Mirror Symmetry
3.1.3.1 A Note on Chirality
3.1.4 Inversion Symmetry
3.1.5 Roto-Inversion Symmetry
3.1.6 A Note on Transformation Matrices
3.2 Combinations of Point Symmetry Operations
3.2.1 A Note on Schönflies Notation
3.2.2 Multiplication Tables
3.2.3 Character Tables
3.2.3.1 Class Multiplication
3.2.3.2 How Do We Use Character Tables?
3.2.3.3 The Correlation Method
Review Questions
Works Cited
4. Crystal Systems
4.1 Triclinic
4.2 Monoclinic
4.3 Orthorhombic
4.4 Tetragonal
4.5 Cubic
4.6 Hexagonal
4.7 Trigonal
Review Questions
5. Lattice Systems
5.1 Centring
5.2 Lattice Systems Versus Crystal Systems
5.3 Bravais Lattices
5.4 Unconventional Unit Cells
5.5 Note on Notation
5.6 The Metric Tensor
5.6.1 Finding the Length of a Vector in a Crystal
5.6.2 Finding the Distance Between Two Atoms (Bond Lengths)
5.6.3 Finding the Angle Between Bonds or Lattice Directions
Review Questions
6. Partial Translations
6.1 Glide Symmetry
6.1.1 Axial Glide
6.1.2 Diagonal Glide
6.1.3 Diamond Glide
6.1.4 Double Glide
6.2 Screw Symmetry
6.3 Improper Translation?
Review Questions
7. Symmetry in Two Dimensions
7.1 Two-Dimensional Lattices
7.2 Note on Notation
7.3 Plane Groups
Review Questions
8. Space Groups
8.1 Introduction
8.2 Sohncke Groups
8.3 Crystal Classes
8.4 Bravais Classes
8.5 Note on Trigonal Space Groups
8.6 Symmorphic Space Groups
8.7 Nonsymmorphic Space Groups
8.8 Note on Notation
8.9 Site Symmetry and Wyckoff Positions
8.10 Orbits
Review Questions
9. Example Structures
9.1 Simple Cubic, α-Po Structure Type
9.2 Body-Centred Cubic (BCC), W Structure Type
9.3 CsCl Structure Type
9.4 Hexagonal Close Packed (HCP), Mg Structure Type
9.5 Face-Centred Cubic (FCC), Cu Structure Type
9.6 Halite, NaCl Structure Type
9.7 Perovskite, CaTiO3 Structure Type
9.7.1 The Naming of Perovskite
9.7.2 A Note on Ferroelectricity
9.8 Fluorite, CaF2 Structure Type
9.9 Pyrochlore, CaNb2O7 Structure Type
9.10 Defect Fluorite Structure
9.11 Zincblende (ZnS), Sphalerite Structure Type
9.12 Diamond Cubic, C Diamond Structure Type
9.13 Spinel, MgAl2O4 Structure Type
9.14 Summary
Review Questions
Works Cited
10. Other Classifications of Structures
10.1 Pearson Notation
10.2 Strukturbericht Symbols
Review Questions
Works Cited
11. Diffraction and Reciprocal Space
11.1 Interference and Diffraction
11.2 Bragg´s Law
11.3 Electrons as Waves
11.4 Reciprocal Space
11.5 Structure Factor
11.5.1 Primitive, One Atom Per Lattice Point
11.5.2 Body-Centred, One Atom Per Lattice Point
11.5.3 Face-Centred, One Atom Per Lattice Point
11.5.4 Extinctions Due to Centring
11.5.5 NaCl
11.5.6 Extinctions Due to Glide
11.5.7 Extinctions Due to Screw Axes
11.5.8 Double Diffraction
11.5.9 Phase Problem
11.5.10 Effect of Thermal Vibration
11.5.11 Centrosymmetric Crystals
11.5.12 Friedel´s Law
11.5.13 Note on Texturing
11.6 Zone Axis
11.7 Weiss Zone Law
11.8 Diffraction Patterns
11.9 Reciprocal Metric Tensor
11.9.1 Calculating Interplanar Spacings
11.9.2 Calculating Interplanar Angles
Review Questions
Works Cited
12. Symmetry Constraints on Properties
12.1 Anisotropy
12.2 Neumann´s Principle and the Curie Principle
Review Questions
Works Cited
13. Quantum Theory
13.1 What Is Crystal Chemistry?
13.2 Why Is Crystal Chemistry Important?
13.3 Another History Lesson
13.4 Quantum Mechanics
13.4.1 Principal Quantum Number, n
13.4.2 Orbital Quantum Number,
13.4.3 Magnetic Quantum Number, m
13.4.4 Spin Quantum Number, ms
13.4.5 Total Angular Momentum, J
13.5 Electron States
13.5.1 Spectroscopic (spdf) Notation
13.5.2 Atomic Notation
13.5.3 X-Ray Notation (IUPAC)
13.6 Electron Configuration
13.6.1 Pauli Exclusion Principle
13.6.2 Hund´s Rules
13.7 Note on Units
Review Questions
Works Cited
14. Covalent, Metallic, and Secondary Bonding
14.1 What Is Bonding?
14.2 Coordination
14.3 Packing Fraction
14.4 Covalent Bonding
14.4.1 The Shared Pair
14.4.2 The Octet Rule
14.4.3 Valence Bond Theory
14.4.3.1 Bond Types
σ Bonds
π-Bonds
14.4.3.2 The VSEPR Model and Orbital Hybridization
14.4.4 Molecular Orbital Theory
14.4.4.1 Bond Order and Bond Strength
14.4.4.2 Bonds Between Unlike Atoms
14.4.5 Coordinate Covalent Bonding
14.5 Metallic Bonding
14.5.1 Metallic Properties
14.5.2 Hume-Rothery Rules
14.6 Band Theory
14.7 Secondary Bonding
14.7.1 Van der Waals Forces
14.7.2 Hydrogen Bonding
Review Questions
Works Cited
15. Ionic Bonding
15.1 Ionic Bonding
15.2 Electronegativity
15.3 Energy
15.3.1 Repulsive Energy
15.3.2 Attractive Energy
15.3.3 Total Energy
15.3.4 Madelung Constant
15.3.5 Reduced Madelung Constant
15.3.6 Lattice Energy
15.4 Note on Nomenclature
15.5 Born Haber Cycle
15.6 Solutions
15.7 Formulae of Ionic Compounds
15.8 Pauling´s Rules for Determining Ionic Structure
15.8.1 Coordination Rule
15.8.2 Electrostatic Valence Rule
15.8.3 The Nature of Contiguous Polyhedra
15.8.4 The Rule of Parsimony
15.9 Predicting Bond Nature
15.10 Ionic vs Covalent
Review Questions
Works Cited
16. Point Defects
16.1 Order and Disorder
16.2 Vacancies
16.2.1 How Do We Know Vacancies Exist?
16.2.2 Equilibrium Concentration of Vacancies
16.3 Interstitial Defects
16.4 Substitutional Defects
16.5 Antisite Defects
16.6 Order Parameter
16.7 Ionic Point Defects
16.7.1 Schottky Defects
16.7.2 Frenkel Defects
16.7.3 Kröger-Vink Notation
16.7.4 Equilibrium Concentration
16.7.5 Impurities in Ionic Crystals
16.7.6 Colour Centres
16.7.7 Photochromic Effect
16.8 Migration of Point Defects
Review Questions
Works Cited
17. Line Defects
17.1 Introduction
17.2 Edge Dislocations
17.3 Screw Dislocations
17.4 Burgers Vector
17.5 Slip
17.6 Resolved Shear Stress
17.7 Partial Dislocations
17.8 Frank Loops
17.9 Dislocation Reactions
17.9.1 Lomer Lock
17.9.2 Lomer-Cottrell Lock
17.10 Climb
Review Questions
Works Cited
18. The Non-Crystalline State
18.1 Amorphous Structures
18.2 Short-Range Order
18.3 Free Volume and Glass Transition Temperature
18.4 Hard-Sphere Model
18.4.1 Bernal´s Random Close-Packed Sphere (RCPS) Model
18.4.2 Voronoi Polyhedra
18.4.3 Pair Distribution Function (PDF)
18.5 Network Models
18.5.1 Zachariasen´s Rules
18.5.2 Network Formers and Modifiers
18.5.3 Network Topology
18.6 Polymers
18.6.1 Architecture
18.6.2 Conformation
18.6.3 Thermosetting Polymers
18.6.4 Thermoplastics
Review Questions
Works Cited
Appendices
Appendix 1: Interplanar Spacings
Appendix 2: Interplanar Angle Between (h1k1l1) and (h2k2l2)
Appendix 3: Interdirectional Angle Between [u1v1w1] and [u2v2w2]
Appendix 4: Equations for Directions, [uvw], Normal to Planes (hkl)
Appendix 5: Equations for Planes, (hkl), Normal to Directions [uvw]
Index