Foundations of Crystallography with Computer Applications

Foundations of Crystallography with Computer Applications

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Features

  •      Contains colorful MATLAB figures, neolithic ornamental two-dimensional patterns, and other images designed for great crystallographic impact.
  • Provides two study crystals with complementary crystallographic features: Hexamethylbenzene, C6(CH3)6, (HMB) and Anhydrous alum, KAl(SO4)2, (AA)
  • Develops theoretical material extensively in two dimensions and then extends these concepts to three dimensions.
  • Complements the International Tables for Crystallography
  • Summary

    X-ray crystallography provides a unique opportunity to study the arrangement of atoms in a molecule. This book’s modern computer-graphics centered approach facilitates the extrapolation of these valuable observations.

    A unified treatment of crystal systems, the book explains how atoms are arranged in crystals using the metric matrix. Featuring two model crystal examples, the text develops theoretical concepts to point and space groups in two dimensions and then extends these ideas to three dimensions.

    The book interprets the International Tables for Crystallography to bridge the gap between the crystallographic literature and spatial interatomic relationships. Numerous computer-based exercises are integrated throughout the book, with MATLAB® starter programs that help reduce the minutiae of programming.

    Table of Contents

    LATTICES Two-Dimensional Lattices
    Two-Dimensional Basis Vectors and Unit Cells
    Two-Dimensional Transformations between Sets of Basis Vectors
    Three-Dimensional Basis Vectors, Unit Cells, and Lattice Transformations
    Conversion to Cartesian Coordinates
    A Crystal: Hexamethylbenzene
    A Crystal: Anhydrous Alum
    Effects of Temperature And Pressure On LatticeParameters
    UNIT CELL CALCULATIONS
    Fractional Coordinates
    Plotting Atoms in the Unit Cell
    Calculation of Interatomic Bond Distances
    Calculation of Interatomic Bond Angles
    Area and Volume of the Unit Cell
    Summary of Metric Matrix Calculations
    Quartz Example
    Transformation Matrices
    Hexamethylbenzene Example
    Crystallographic Directions
    Crystallographic Planes and Miller Indices Density
    Revisiting Thermal Expansion and Isothermal Compressibility
    POINT GROUPS
    Group Theory
    Symmetry Operations
    Crystallographic Rotations
    Summary of the Two-Dimensional Crystallographic Operations
    Two-Dimensional Crystallographic Point Groups
    Two-Dimensional Crystal Systems
    Two-Dimensional Point Group Tree
    Three-Dimensional Point Groups
    Three-Dimensional Crystal Systems
    Examples of Three-Dimensional Point Groups With Multiple Generators
    Three-Dimensional Point Group Trees
    Point Group Symmetry and Some Physical Properties Of Crystals
    SPACE GROUPS
    Two-Dimensional Bravais Lattices
    Crystal Systems and the G Matrices
    Two-Dimensional Space Groups
    Overview of the Asymmetric Unit
    Recipe for Analyzing a Periodic Pattern
    Primitive Cells for Cm and C2mm
    Two-Dimensional Space Group Tree
    Summary of Two-Dimensional Space Groups
    Three-Dimensional Bravais Lattices
    Three-Dimensional Space Groups
    Hmb and Space Group No. 2, P1
    Aa and The Space Group No. 150, P321
    THE RECIPROCAL LATTICE
    The Reciprocal Lattice
    Relationships between Direct and Reciprocal Lattices
    Reciprocal Lattice Calculations for Three Crystals
    Relationships between Transformation Matrices
    Diffraction Pattern and the Reciprocal Lattice
    Three Applications of the Reciprocal Lattice
    PROPERTIES OF X-RAYS
    The Discovery of X-Rays
    Properties of Waves
    X-Ray Spectrum
    The X-Ray Tube
    X-Ray Diffraction
    ELECTRON DENSITY MAPS
    Scattering by an Electron
    Scattering by an Atom
    Scattering by a Crystal
    Some Mathematical Identities
    Structure Factors for Some Crystals
    Structure Factors for Centrosymmetric Crystals
    Electron Density Maps

    Editorial Reviews

    "The treatment of these topics is excellent and of a high pedagogical level for beginning students. Opening this book reveals a very appealing layout . . . All items are clearly defined and illustrated by many examples, and the student is taken by the hand and led from many extensive explanations and calculations in two dimensions to the more complicated three-dimensional relations."

    – Georg Roth and Theo Hahn, Institut für Kristallographie, RWTH Aachen University, in Crystallography Reviews, August 2009

    Downloads / Updates

    Resource OS Platform Updated Description Instructions
    Foundations_of_Crystallography_Preface.pdf Platform type March 27, 2008

     
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