Elements of crystallochemistry 0600-S2-ChK-EK

Basic terms: crystal lattice, unit cell, symbolism of lattice points, lines and lattice planes, crystallographic systems, basic tetrahedron, zone law. Symmetry elements - matrix operators. Combinations of symmetry operations - rules. Symmetry of molecules. Point groups, international and Schoenflis symbolisms. Recognition of symmetries, point groups and crystallographic system. Translations: Bravais lattices, translational symetries. Space groups and point groups, symmetry equivalent points. X-ray crystallography. Bragg law, Laue law.The Debye-Scherrer-Hull method - identification and indexing, cell parameters. Structure factors and the electron density function. Friedel law, the Laue diffraction groups. The space groups and systematic absences (Bravais lattice, translational symmetries). The phase problem, Patterson function and direct methods. Classification of crystal structures - elements of crystallochemistry.

Total student workload

1. 20 lecture, ie. 20 contact, 2. 25 laboratory, ie. 25 contact, 3. 20 individual work, 4. 35 required for preparation przygotowania to the evaluation process, 5. total student time 100 h/25 = 4 ECTS.

Learning outcomes - knowledge

(in Polish) W1: zna podstawowe pojęcia z zakresu krystalochemii, K_W06 W2: zna pojęcia pozwalające określać symetrię cząsteczki oraz układu krystalograficznego, K_W06 W3: zna zagadnienia grup przestrzennych symetrii oraz wygaszeń systematycznych (typ sieci Bravais, translacyjne elementy symetrii), K_W06 W4: zna podstawy teoretyczne metod dyfrakcyjnych i ich zastosowanie do badań związków chemicznych i biomateriałów - K_W06

Learning outcomes - skills

(in Polish) U1: potrafi korzystać z dotychczasowej wiedzy z chemii oraz wykorzystuje ją w krystalochemii - K_U01 U2: potrafi rozpoznać symetrię cząsteczek, sieci krystalicznej, potrafi zastosować metody dyfrakcyjne do identyfikacji substancji, określenia parametrów i symetrii sieci - K_U06

Learning outcomes - social competencies

(in Polish) K1: rozumie potrzebę poszerzania własnej wiedzy o zagadnienia związane z krystalochemią - K_K01 K2: potrafi pracować w grupie, rozwiązywać problemy dotyczące symetrii cząsteczek i ich struktury - K_K02.

Teaching methods

Lecture: informative or problem. Laboratory: exercise and laboratory

Expository teaching methods

- informative (conventional) lecture
- problem-based lecture

Exploratory teaching methods

- practical

Type of course

compulsory course

Prerequisites

Knowledge of mathematics and physics at the high schol level, knowledge of chemistry at the level of S1 graduate

Course coordinators

Andrzej Wojtczak

Assessment criteria

Assesment methods:
Lecture: written exam scored in %.
Criteria: assesment of W1-W4, U1, U2, K1, K2
1. Crystal lattice, crystallographic systems, symetries and matrix operators, Bravais groups, point and space groups, symmetry equivalent points.
2. Generating of X-rays, they interactions with matter, X-ray diffraction on crystals –Bragg and Laueg laws.
3. Method of Debye- Scherrer- Hull, Laue method , rotating crystal method. Identification of substances, reflection indexing.
4. Atomic scattering factors and dependence on the Bragg angle and thermal parameters. Systematic absences. Friedel law,Laue diffraction groups, determination of the crystal symmetry.
5. Phase problem, phase determination with the Patterson method. Normalization of structure factors, skaling and thermal factor by the Wilson method, phases for noncentro- and centrosymmetric structures, direct metods. Determination of possible molecular symmetry based on systematic absences, unit cell volume and the crystal density. Structure determination based on the special positions.
6. Elements of crystallochemistry. Basic structure types – metals, diament and graphiet, types AB and AB2. Interactions between the lattice components, determination of the bond lenghts and radii of the crystal lattice components based on the positions and cell parameters, coordination number, the component radii ratio for structure types AB i AB2,space filling, relations between crystal structure and selected chemical/physical properties.
Laboratory: assesment with grades
Criteria: evaluation of W1-W4, U1, U2, K1, K2
Requirements for satisfactory grade 51-60%, satisfactory plus 61-65%, good66-75%, good plus 76-80%, very good 81%.

Practical placement

n/a

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, IUCR (Vols. 1-4 and A-F)

Additional information

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

Description of 0600-S2-ChK-EK in USOSweb