Structure Determination, Building Principles, and Synthesis of Crystalline Materials in Two and Three Dimensions

Many materials in nature and technology are crystalline, i.e. their atomic structure is periodic. For a microscopic understanding of physical properties and as a prerequisite for simulations, detailed knowledge of the atomic structure is essential. The lecture aims at providing fundamentals for structure determination by means of diffraction, i.e. determination of the unit cell as well as type and coordinates of the atoms contained. Since structure determination takes advantage of symmetries, an overview will be given over symmetry operations, the difference between coupling and combination, as well as the classification in point and space groups. Moreover, important methods for the growth of inorganic crystals as well as synthesis of novel organic crystalline materials as Metal-Organic-Frameworks und Covalent-Organic-Frameworks will be introduced. Finally, in relation to nano-materials, we discuss both synthesis and structure determination of two-dimensional materials.

The successful participation provides the basic knowledge for structure determination by means of diffraction (Laue equations, Bragg equation, reciprocal space, extinction rules, Ewald construction, strategies for solving the phase problem). One understands the effect of single, combined, and coupled symmetry elements and is able to assign structures to space groups according to their symmetries. An overview about experimental implementations of powder and single crystal x-ray diffraction is provided. The crucial differences between electron vs. x-ray diffraction as well as diffraction on two vs. three dimensional crystals will become clear. Finally, an overview over the most important methods for crystal growth and synthesis of novel crystalline organic materials is obtained.

Keine Vorkenntnisse nötig, die über die Zulassungsvoraussetzungen zum Masterstudium hinausgehen

lecture, beamer presentation, board work

worksheets, lecture slides

1) Werner Massa and Robert O. Gould: Crystal Structure Determination, Springer
2) Walter Borchardt-Ott and Robert O. Gould: Crystallography: An Introduction, Springer 2011

In an oral exam the learning outcome is tested using comprehension questions and sample problems.

In accordance with §12 (8) APSO the exam can be done as a written test. In this case the time duration is 60 minutes.