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Crystal Structure Determination

  • Textbook
  • © 2000

Overview

Authors:
  1. Werner Massa

    1. Department of Chemistry, University of Marburg, Marburg, Germany

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  • Traditional and up-to-date approach;
  • Specific reference to the very widely used SHELX Programs of George Sheldrick, University of Göttingen;
  • Based on lectures held at the university for many years;
  • Solid base for students and researchers analyzing crystal structures by the use of X-rays

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Table of contents (15 chapters)

  1. Front Matter

    Pages I-XI
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  2. Introduction

    • Werner Massa
    Pages 1-1

  3. Crystal Lattices

    • Werner Massa
    Pages 3-11

  4. The Geometry of X-Ray Diffraction

    • Werner Massa
    Pages 13-25

  5. The Reciprocal Lattice

    • Werner Massa
    Pages 27-31

  6. Structure Factors

    • Werner Massa
    Pages 33-40

  7. Crystal Symmetry

    • Werner Massa
    Pages 41-66

  8. Experimental Methods

    • Werner Massa
    Pages 67-98

  9. Structure Solution

    • Werner Massa
    Pages 99-114

  10. Structure Refinement

    • Werner Massa
    Pages 115-128

  11. Additional Topics

    • Werner Massa
    Pages 129-140

  12. Errors and Pitfalls

    • Werner Massa
    Pages 141-160

  13. Interpretation and Presentation of Results

    • Werner Massa
    Pages 161-169

  14. Crystallographic Databases

    • Werner Massa
    Pages 171-175

  15. Outline of a Crystal Structure Determination

    • Werner Massa
    Pages 177-179

  16. Worked Example of a Structure Determination

    • Werner Massa
    Pages 181-196

  17. Back Matter

    Pages 197-206
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Keywords

About this book

To solve a crystal structure means to determine the precise spatial arrangements of all of the atoms in a chemical compound in the crystalline state. This knowledge gives a chemist access to a large range of information, induding connectivity, conformation, and accurate bond lengths and angles. In addition, it implies the stoichiometry, the density, the symmetry and the three dimensional packing of the atoms in the solid. Since interatomic distances are in the region of 100-300 pm or 1-3 A, I microscopy using visible light ( wavelength Je ca. 300-700 nm) is not applicable (Fig. l. l). In 1912, Max von Laue showed that crystals are based on a three dimensional lattice which scatters radiation with a wavelength in the vicinity of interatomic distances, i. e. X -rays with Je = 50-300 pm. The process by wh ich this radiation, without changing its wave­ length, is converted through interference by the lattice to a vast number of observable "reflections" with characteristic directions in space is called X-ray diffraction. The method by which the directions and the intensities of these reflections are measured, and the ordering of the atoms in the crystal deduced from them, is called X -ray struc­ ture analysis. The following chapter deals with the lattice properties of crystals, the starting point for the explanation of these interference phenomena. Interatomic distances Crystals . . . . . . . . . .

Authors and Affiliations

  • Department of Chemistry, University of Marburg, Marburg, Germany

    Werner Massa

Bibliographic Information

  • Book Title: Crystal Structure Determination

  • Authors: Werner Massa

  • DOI: https://doi.org/10.1007/978-3-662-04248-9

  • Publisher: Springer Berlin, Heidelberg

  • eBook Packages: Springer Book Archive

  • Copyright Information: Springer-Verlag Berlin Heidelberg 2000

  • eBook ISBN: 978-3-662-04248-9Published: 09 March 2013

  • Edition Number: 1

  • Number of Pages: XI, 206

  • Additional Information: Original German edition published by B.G. Teubner, Stuttgart, 1994

  • Topics: Inorganic Chemistry, Organic Chemistry, Geochemistry, Mineralogy, Physics, general

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