SubjectsSubjects(version: 947)
Course, academic year 2023/2024
Crystal chemistry - M101001
Title: Krystalochemie
Guaranteed by: Department of Inorganic Chemistry (101)
Faculty: Faculty of Chemical Technology
Actual: from 2023
Semester: summer
Points: summer s.:4
E-Credits: summer s.:4
Examination process: summer s.:
Hours per week, examination: summer s.:2/1, C+Ex [HT]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Additional information:
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Sedmidubský David prof. Dr. Ing.
Interchangeability : AM101001, N101009
This subject contains the following additional online materials
Annotation -
Last update: Pátková Vlasta (04.01.2018)
This course is focused on the basic principles and modern concepts of the crystal structure of inorganic substances description. It is divided into four study units: 1.Chemical bond in crystals, 2. The symmetry and structure of crystalline solids,3. Energetics of crystals and crystal defects, 4. Typology and structural principles of selected families of crystalline solids (mixed oxides, intermetalic compounds, silicates).
Aim of the course -
Last update: Pátková Vlasta (04.01.2018)

Students will be able to:

Propose energy band structure diagrams of crystalline substances, determine the method term splitting of atoms and ions in the crystal field

Work with a symmetry groups, crystallographical tables and databases of crystal structures as well as with programs for their visualization

Optimize the structure parameters and to evaluate the phase composition using the Rietveld analysis

Perform calculations based on charge balance, bond valence sums method, the concept of ionic and atomic radii and cohesive energy of crystals

Calculate the equilibrium distribution of crystal defects on the basis of thermodynamic models

Literature -
Last update: Pátková Vlasta (04.01.2018)

R: Kratochvíl, B.; Jenšovský, L. Úvod do krystalochemie. SNTL, 1987, 0460887

R: Kraus I. Struktura a vlastnosti krystalů. Academia, 1993. 802000372X

R: J.Chojnacki, Základy chemické a fyzikální krystalochemie, Academia, 1979, 50921857

A: A.F.Wells, Structural inorganic chemistry, Clarendon-Oxford, 1975, 0198553544

A: Parthé E. Modern Perspectives of Inorganic Crystal Chemistry. NATO ASI Series C [382], Kluwer, 1992, 0793219540

Learning resources -
Last update: Pátková Vlasta (04.01.2018)

D.Sedmidubský, K.Knížek, Krystalochemie, VSCHT Praha,

Requirements to the exam -
Last update: Pátková Vlasta (04.01.2018)

The course is accomplished by responding the questions and working out the problems in a written test - individual project (filling form - y/n and multiple choices + 4-5 more extensive problems), which represents the main part for the overall evaluation. The oral part of the examination is only complementary to support the final evaluation .

Syllabus -
Last update: Pátková Vlasta (04.01.2018)

1. Collective electrons in solids, band theory, tight binding approximation.

2. First principles methods for electronic structure calculation of crystalline solids (DFT, LAPW).

3. Localized electrons, electron structure of atoms and ions, crystal filed theory, Jahn-Teller effect

4. Crystal symmetry, crystal classes, space groups, symmetry based classification of structures.

5. Diffraction techniques, Rielveld method for crystal structures refinement.

6. Classification of structures based on various criteria - symmetry, dimensionality, character of chemical bond.

7. Stability criteria of crystal structures, energetics of crystalline solids.

8. Close packing of atoms and ions, concept of ionic radii.

9. Crystal structure types of ionic solids.

10. Crystal structure of metals and intermetallic compounds.

11. Structural principles of silicates, phosphates and other open structures.

12. Structure defects, structures derived on the basis of defect ordering.

13. Principles of solid solutions formation, mixed valence compounds.

14 Thermodynamic models for equilibrium defect distribution.

Registration requirements -
Last update: Pátková Vlasta (04.01.2018)

Chemistry and physics of solids,

General and Inorganic Chemistry I and II

Mathematics I and II, Physics I and II

Course completion requirements -
Last update: Nekvindová Pavla doc. Ing. Ph.D. (16.02.2018)

The course finished by the defense of an individual project as well as by an oral exam.

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0.2 6
Účast na přednáškách 1 28
Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi 0.8 21
Práce na individuálním projektu 1 28
Příprava na zkoušku a její absolvování 0.5 14
Účast na seminářích 0.5 14
4 / 4 111 / 112