Crystallochemistry 0600-S2-EN-C

Basic concepts: architecture of the crystal lattice, unit cell, symbolism of points, lines and lattice planes, crystallographic system, zone equation. Symmetry elements, the matrix operators. Point groups, international, and Schoenflis symbolism. Recognition of symmetries, the point group and the crystallographic system. Bravais translational lattices, translational symmetries. Space groups, Symmetry equivalent points. X-ray crystallography, Bragg and Laue equations. The DSH method – identification and reflection indexing, lattice parameters.Structure factors and the electron density distribution. The Friedel law and Laue diffraction groups. Space groups and systematic absences (Bravais lattice, translacional symmetry). The phase problem. Patterson function and direct methods. The basic structure types and elements of crystallochemistry.

Total student workload

1. 30h lecture, 30h laboratory,; total of 60h contact 2. 80h individual student learning 3. 40h required for student self-preparation for the evaluation

Learning outcomes - knowledge

K_W07: knows the concepts allowing the determination of molecular and crystal symmetry, and to use it for gaining the information on the investigated substance określać - X2A_W02.

Learning outcomes - skills

K_U01: is able to use the broadened knowledge from other branches of chemistry and use it within the own specialization - X2A_U01; X2A_U02; X2A_U04 K_U09:recognizes the symmetry of molecules and crystal lattices, is able to use the experimental techniques for the substance identification and determination of the lattice parameters- X2A_U01; X2A_U02; X2A_U04

Learning outcomes - social competencies

K_K01: recognizes limitations of own knowledge and understands the need of further learning, is able to take action to broaden the own chemical knowledge - X2A_K01; X2A_U07 K_K02: is able to participate in the team work (playing different roles) and creatively solve problems related to the scientific research, including the structural analysis of the synthesis products - X2A_K02; X2A_K03; X2A_K05; X2A_K06.

Teaching methods

Lecture - informative or problem Laboratory - individual active participation

Expository teaching methods

- problem-based lecture
- informative (conventional) lecture

Exploratory teaching methods

- practical

Type of course

compulsory course

Prerequisites

Knowledge of mathematics at the S1 level of Chemistry (BSc)

Course coordinators

Andrzej Wojtczak

Assessment criteria

Laboratory evaluated based on the student's presence, short tests - W07, U01, U09, Evaluation of student activity during labs – K01 i K02.

Written exam evaluated in %. The course scored according to algorithm: 80% exam + 20% laboratory - W07, U01, U09.

Exam material:
1. Crystal systems, symmetries and matrix operators, Bravais groups, point and space groups of symmetry, Symmetry equivalent points
2. X-ray generation, interactions with matter, diffraction on the crystalline objects, Bragg and Laue equations.
3. Method of Debye-Scherrer- Hula, Laue method, rotating crystal method, substance identification, diffraction pattern indexing.
4. Atom scattering factors and their dependence from the diffraction angle and thermal parameters. Systematic absences. Friedela law, Laue diffraction groups, crystal symmetry.
5. Phase problem,phase determination with Patterson method. Normalization of structure factors, calling and thermal parameter by Wilson method, reflection phases for nonentro- i centrosymmetric structures, direct methods. determination of possible molecular symmetry based on systematic absences, unit cell volume and the crystal density measurement. Structure prediction based on the special positions.
6. Elements of crystallochemiistry Basic types – Cu, Mg, W, diamont i graphite, NaCl, CsCl, CaF2, sfalerite and i wurcite. Interactions between the lattice components, calculating the bond lengths and atom radii based on the atom positions and lattice parameters, coordination number, radii ratios for components of AB i AB2 structures, percent of the space fill, relation between the crystal lattice and chemical of physical properties.

Bibliography

1. T. Penkala, Zarys Krystalografii, PWN Warszawa, 1977,
2. Z. Bojarski, M. Gigla, K. Stróż, M. Surowiec, Krystalografia, PWN, 1996,
3. Z. Bojarski [et al.]. Krystalografia: podręcznik wspomagany komputerowo Wydaw. Naukowe PWN, 2001,
4. Z. Trzaska-Durski, H. Trzaska-Durska, Podstawy Krystalografii Strukturalnej i Rentgenowskiej, PWN, 1994,
5. International Tables for X-ray Crystallography,
6. J.-J. Rousseau Basic Crystallography, Willey & Sons, 1999,
7. D. Schwarzenbach, Crystallography, Willey & Sons, 1996,

Additional information

Additional information (registration calendar, class conductors, localization and schedules of classes), might be available in the USOSweb system:

Description of 0600-S2-EN-C in USOSweb