SubjectsSubjects(version: 863)
Course, academic year 2019/2020
  
Crystal Chemistry - AM101001
Title: Crystal Chemistry
Guaranteed by: Department of Inorganic Chemistry (101)
Actual: from 2019
Semester: summer
Points: summer s.:3
E-Credits: summer s.:3
Examination process: summer s.:
Hours per week, examination: summer s.:2/1 Ex [hours/week]
Capacity: unlimited / unlimited (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Level:  
For type: Master's (post-Bachelor)
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Sedmidubský David prof. Dr. Ing.
Incompatibility : M101001
Interchangeability : M101001, S101009
N//Is incompatible with: M101001
Z//Is interchangeable with: M101001
This subject contains the following additional online materials
Annotation
Last update: Sedmidubský David prof. Dr. Ing. (01.03.2018)
Basic principles and modern concepts of the description of inorganic crystalline solids are introduced. The course is devided into four study blocks: 1.Chemical bonding in crystals, 2. Symmetry and structure of crystalline solids, 3. Crystal energetics and crystal defects equilibrium, 4. Crystal types and structural principles of solid inorganic substances (mixed oxides, chalcogenides, intermetallics, silicates).
Aim of the course
Last update: Sedmidubský David prof. Dr. Ing. (28.02.2018)

Students will be able to:

Sketch the energy diagrams of band structure for crystalline solids, determine the schemes of energy level splitting for orbital and atom and ion terms in crystal field

Work effectively with symmetry groups, crystal structure tables and databases as well as with programs fro structure visualization

Refine the crystal structure and determine quantitative phase composition using Rietveld analysis

Perform calculations based on charge balance, bond valence sum method and ionic and atomic radii concep as well as calculations cohesive energie of crystals

Calculate the equilibrium of crystal defects based on crystallochemical models

Literature
Last update: Sedmidubský David prof. Dr. Ing. (28.02.2018)
  • A.F.Wells, Structural inorganic chemistry, Clarendon-Oxford, 1975, 0198553544
  • F.S.Gallaso, Structure and Properties of Inorganic Solids, International Series of Monographs in Solid State Physics, Vol.7, Pergamon Press, 1970
  • E.Parthé, Modern Perspectives of Inorganic Crystal Chemistry. NATO ASI Series C [382], Kluwer, 1992, 0793219540
  • J.K.Burdett, From Bonds to Bands and Molecules to Solids, Progress in Solid State Chemistry 15 (1984) 173-255
  • R.Hoffmann, How chemistry and physics meet in the solid state, Angew. Chem. Int. Ed. Engl. 26 (1987) 846-878
  • S.Cottenier, Density Functional Theory and the Family of (L)APW-methods: a step-by-step introduction (2013)
Learning resources
Last update: Sedmidubský David prof. Dr. Ing. (28.02.2018)

D.Sedmidubský, K.Knížek, Crystal chemistry, UCT Prague, http://e-learning.vscht.cz/

K.Knížek, Crystal Chemistry, http://lom.fzu.cz/main/lom/krystalochemie/index.html

Teaching methods
Last update: Sedmidubský David prof. Dr. Ing. (28.02.2018)

Lectures, seminars, homework

Syllabus -
Last update: Sedmidubský David prof. Dr. Ing. (01.03.2018)

1. Electrons in solids, chemical bonding, band theory.

2. Metods of ab-initio calculations. LDA, LAPW.

3. Localized electrons, electron structure of atoms and ions.

4. Electrostatic and quantum theory of crystals, Jahn-Teller effect.

5. Crystal symmetry, space groups.

6. X-ray diffraction, Rielveld refinement.

7. Classification of structures - symmetry, dimensionality, bonding type.

8. Stability criteria of crystal structure, energy of crystalline solids.

9. Close packed atomic and ionic arrangements, concept of ionic radius.

10. Crystal types of ionic compounds.

11. Crystal structure of metals and intermetallics.

12. Defects of crystal structure, crystallochemical equilibrium.

13. Solid solutions, mixed valence compounds.

14. Structural types of silicates, phosphates and other compounds.

Course completion requirements
Last update: Sedmidubský David prof. Dr. Ing. (28.02.2018)

A successful completion of the subject is based on correct solution of the written part in a form of individual project (multiple choice test + 4-5 more complex problems such as crystal structure refinement, solution of crystallochemical equilibrium based on point defect model, etc.), This part is followed by oral exmination..

Teaching methods
Activity Credits Hours
Konzultace s vyučujícími 0,2 6
Účast na přednáškách 1 28
Práce na individuálním projektu 0,7 20
Příprava na zkoušku a její absolvování 0,6 16
Účast na seminářích 0,5 14
3 / 3 84 / 84
Coursework assessment
Form Significance
Regular attendance 30
Defense of an individual project 40
Oral examination 30

 
VŠCHT Praha