Crystal Structure Determination

ISBN-10: 3540206442
ISBN-13: 9783540206446
Edition: 2nd 2004 (Revised)
List price: $99.00 Buy it from $49.95
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Book details

List price: $99.00
Edition: 2nd
Copyright year: 2004
Publisher: Springer
Publication date: 8/13/2010
Binding: Hardcover
Pages: 212
Size: 6.25" wide x 9.25" long x 0.75" tall
Weight: 1.342
Language: English

Walter Borchardt-Ott was born in 1933 in Tempelburg (Pommern). He studied Mineralogy at Greifswald University and later at the Humboldt University, Berlin, placing a special emphasis on crystallography. He received his doctorate from Münster University, where he was engaged as a long term lecturer and tutor in crystallography and petrography. Throughout his long career he has published numerous scientific works in the fields of crystal growth and the morphology of crystals. He retired in 1998, but still retains an active interest in the world of crystallography.

Introduction
Crystal Lattices
The Lattice
The Unit Cell
Atom Parameters
The Seven Crystal Systems
The Fourteen Bravais Lattices
The Hexagonal, Trigonal and Rhombohedral Systems
The Reduced Cell
The Geometry of X-Ray Diffraction
X-Rays
Interference by a One-Dimensional Lattice
The Laue Equations
Lattice Planes and hkl-Indices
The Bragg Equation
Higher Orders of Diffraction
The Quadratic Form of the Bragg Equation
The Reciprocal Lattice
From the Direct to the Reciprocal Lattice
The Ewald Construction
Structure Factors
Atom Formfactors
Atom Displacement Factors
Structure Factors
Crystal Symmetry
Simple Symmetry Elements
Coupling of Symmetry Elements
Combination of Symmetry Elements
Symmetry Directions
Symmetry Elements Involving Translation
Combination of Translation with Other Symmetry Elements
Coupling of Translation with Other Symmetry Elements
The 230 Space Groups
Space-group Notation in International Tables for Crystallography
Centrosymmetric Crystal Structures
The Asymmetric Unit
Space Group Types
Group-Subgroup Relationships
Visible Effects of Symmetry
Microscopic Structure
Macroscopic Properties and Crystal Classes
Symmetry of the Lattice
Symmetry of the Diffraction Pattern--The Laue Groups
Determination of the Space Group
Determination of the Laue Group
Systematic Absences
Transformations
Experimental Methods
Growth, Choice and Mounting of a Single Crystal
Measuring the Diffraction Pattern of Single Crystals
Film Methods
The Four-circle (serial) Diffractometer
Reflection profile and scan type
Area Detector Systems
Data Reduction
Lp correction
Standard Uncertainty
Absorption Correction
Other Diffraction Methods
Neutron Scattering
Electron Scattering
Structure Solution
Fourier Transforms
Patterson Methods
Symmetry in Patterson Space
Structure Solution Using Harker Peaks
Patterson shift methods
Direct Methods
Harker-Kasper Inequalities
Normalized Structure Factors
The Sayre Equation
The Triplet Relationship
Origin Fixation
Strategies of Phase Determination
Structure Refinement
The Method of Least Squares
Refinement Based on F[subscript o] or F[superscript 2 subscript o] Data
Weights
Crystallographic R-Values
Refinement Techniques
Location and Treatment of Hydrogen Atoms
Restricted Refinement
Damping
Symmetry Restrictions
Residual Electron Density
Rietveld Refinement
Additional Topics
Disorder
Site Occupancy Disorder
Positional and Orientational Disorder
One- and Two-Dimensional Disorder
Modulated Structures
Quasicrystals
Anomalous Dispersion and "Absolute Structure"
Chiral and Polar Space Groups
Extinction
The Renninger Effect
The [lambda]/2-Effect
Thermal Diffuse Scattering (TDS)
Errors and Pitfalls
Wrong Atom-Types
Twinning
Classification by the Twin-Element
Classification According to Macroscopic Appearance
Classification According to Origin
Diffraction Patterns of Twinned Crystals and their Interpretation
Twinning or Disorder?
False Unit Cells
Space Group Errors
Misplaced Origins
Poor Atom Displacement Parameters
Interpretation and Presentation of Results
Bond Lengths and Bond Angles
Best Planes and Torsion Angles
Structural Geometry and Symmetry
Structural Diagrams
Electron Density
Crystallographic Databases
The Inorganic Crystal Structure Database (ICSD)
The Cambridge Structural Database (CSD)
The Metals Crystallographic Data File (CRYST-MET)
Other Collections of Crystal Structure Data
Deposition of Structural Data in Data Bases
Crystallography on the Internet
Outline of a Crystal Structure Determination
Worked Example of a Structure Determination
Bibliography
Index

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