X-ray Powder Diffraction - P108002
Title: RTG fázová analýza
Guaranteed by: Department of Solid State Chemistry (108)
Faculty: Faculty of Chemical Technology
Actual: from 2024
Semester: winter
Points: winter s.:0
E-Credits: winter s.:0
Examination process: winter s.:
Hours per week, examination: winter s.:3/0, other [HT]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
State of the course: taught
Language: Czech
Teaching methods: full-time
Level:  
Note: course is intended for doctoral students only
can be fulfilled in the future
Guarantor: Čejka Jan Ing. Ph.D.
Maixner Jaroslav RNDr. CSc.
Classification: Chemistry > Analytical Chemistry
Is interchangeable with: AP108002
Examination dates   
Annotation -
The lectures are focused on qualitative and semi-quantitative phase analysis. The students will deal with sample preparation for powder XRD analysis, data collection and qualitative analysis of powder pattern in Highscore+ software bundle, including PDF4+ search. The lectures are suitable for postgraduate students.
Last update: Čejka Jan (14.06.2018)
Aim of the course -

The students will be able to:

analyze powder pattern in Highscore Plus software,

manipulate background, manual and automatic peak search, PDF4+ search

perform semiquantitative phase analysis of mixture of phases using method of corundum numbers(RIR values)

basics of Rietveld refinement, calculation of theoretical powder pattern.

Last update: Čejka Jan (14.06.2018)
Course completion requirements -

Oral exam, prove skills working with real powder pattern.

Last update: Čejka Jan (14.06.2018)
Literature -

R: Ivo Kraus - Úvod do strukturní rentgenografie, Academia Praha 1985

R: Manual of Highscore Plus.

R: Manual of Mercury.

R: Manual of search-match program in Cambridge Structure Database.

Last update: Čejka Jan (14.06.2018)
Teaching methods -

lectures, exercises on manipulation and evaluation of real samples and their respective diffraction patterns

Last update: Čejka Jan (14.06.2018)
Syllabus -

The following subjects will be explained in detail:

1. CIF based theoretical powder calculation in Highscore Plus.

2. Quantitative analysis using Rietveld's method.

3. Analysis of amorphous content in powder sample.

4. Size of crystallites, Hall-Williamson graph.

5. Advanced PDF4+ search.

6. Advanced CSD search.

7. Output of graphical results, Mercury and Ortep software.

Last update: Čejka Jan (14.06.2018)
Learning resources -

https://clab.vscht.cz/rtg-en

http://reference.iucr.org/dictionary/

https://www.iucr.org/education/resources

Last update: Čejka Jan (14.06.2018)
Entry requirements -

none

Last update: Čejka Jan (13.09.2018)