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Principles of Crystal Structure Determination
Grundlagen der Kristallstrukturanalyse
Last Updated: 2026-06-01 11:30:49
Abstract
An introduction to the principles of X-ray diffraction and crystal structure determination as it relates to Chemistry
Objective
To gain an understanding of the principles of crystal structure determination by X-ray diffraction.
Content
Basic crystallographic concepts: Unit cells, Bravais lattices, Laue symmetry, crystal classes (point groups), space groups, crystal growth, instrumentation, diffraction of X-rays by crystals: physical and geometric basics, powder and single crystal methods, structure solution and modelling, interpretation of crystal structure data; internal coordinates for structure description: atom spacing, co-ordination polyhedra, bond angles, torsion angles; intermolecular interactions, absolute configuration determination. Overview of inorganic, organic and macromolecular databases.
Resources
Lecture Notes
The script and exercises will be distributed weekly in loose form
Literature
Main reference (1) W. Massa, "Crystal Structure Determination", 2nd Ed., 2004, Springer Verlag. Additional literature (2) J.D. Dunitz, "X-ray Analysis and the Structure of Organic Molecules", 1995, Verlag HCA. (3) C. Hammond, "The Basics of Crystallography and Diffraction", 2nd Ed., 2001, International Union of Crystallography Texts on Crystallography 5, Oxford University Press. (4) J.P. Glusker, M. Lewis & M. Rossi, "Crystal Structure Analysis for Chemists and Biologists", 1994, VCH Publishers. (5) D. Blow, "Outline of Crystallography for Biologists", 2002 Oxford University Press. (6) D. Schwarzenbach, "Kristallographie", 2001, Springer Verlag. (7) C. Giacovazzo, H.L. Monaco, G. Artioli, D. Viterbo, G. Ferraris, G. Gilli, G. Zanotti & M. Catti, Fundamentals of Crystallography", edited by C. Giacovazzo, 2nd Ed., 2002, International Union of Crystallography Texts on Crystallography 7, Oxford University Press. (8) J.P. Glusker & K.N. Trueblood, "Crystal Structure Analysis - A Primer", 2nd Ed., 1985, Oxford University Press.
General Information
- Language
- German
- Levels
- BSC
- Frequency
- Yearly recurring
Examination
- Type
- session examination
- Mode
- oral 30 minutes
Course Components
| Type | Title | Time & Place | Hours |
|---|---|---|---|
| lecture with exercise |
Grundlagen der Kristallstrukturanalyse
Lehrsprache: Deutsch und Englisch
|
|
3 h weekly |
Offered In
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Wahlfächer (Den Studierenden stehen der Studienstufe angemessene chemische Lehrangebote des D-CHAB zur Auswahl offen (Zulassungsbedingungen beachten). Bei Unklarheiten das Studiensekretariat kontaktieren.)
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