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X-Ray Phase Analysis II - AM108012

Title:	X-Ray Phase Analysis II
Guaranteed by:	Department of Solid State Chemistry (108)
Faculty:	Faculty of Chemical Technology
Actual:	from 2019
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:	unknown / unknown (10)
Min. number of students:	5
Language:	English
Teaching methods:	full-time
Teaching methods:	full-time
Level:
For type:	Master's (post-Bachelor)
Additional information:	http://RNDr. J. Maixner, CSc.
Note:	course can be enrolled in outside the study plan enabled for web enrollment

Guarantor:	Čejka Jan Ing. Ph.D.
Interchangeability :	N108009

Examination dates

Annotation -

The aim is to teach students a few more sophisticated X-ray techniques for polycrystalline materials - indexing procedure for powder patterns, Rietveld analysis for quantitative phase determination, amorphous content determination, crystallite size determination. Students will learn more advanced features of HighScore Plus 3.0 program and search in the databases ICSD, CSD.

Last update: Kubová Petra (15.01.2018)

Aim of the course -

Students will be able to:

perform search in the databases ICSD and CSD;

calculate theoretical powder pattren from structural data(X,Y,Z atomic positons);

perform Rietveld analysis for quantitative phase determination, amorphous content determination, crystallite size determination.

Last update: Kubová Petra (15.01.2018)

Literature -

Hahn, T.: International tables for crystallography, 1983. ISBN:90-277-1445-2

Last update: Čejka Jan (22.02.2018)

Learning resources -

https://serc.carleton.edu/research_education/geochemsheets/techniques/XRD.html

Last update: Čejka Jan (20.02.2018)

Syllabus -

Students choose one of exercises mentioned below to solving:

1. Calculation of theoretical powder pattern from structural data(X,Y,Z atomic positons) using PDF4+ card or *.CIF file from ICSD or CSD - performed in program HighScore Plus 3.0.

2. Application of Rietveld analysis for quantitative phase determination

3. Application of Rietveld analysis for amorphous content determination.

4. Crystallite size determination, Hall-Williamson graph.

5. Search-match in Inorganic Crystal Structure Database(ICSD) - inorganic compounds, getting structural data as *.CIF file.

6. Search-match in Cambridge Structural Database(CSD) - organic compounds, getting structural data as *.CIF file.

7. Graphical presentation of structure - programs Mercury and Ortep.

Last update: Kubová Petra (15.01.2018)

Course completion requirements

Credit – evaluation of powder pattern with program HighScore Plus 3.0

Examination – written part - test, structure solution with program HighScore Plus 3.0, oral part

Last update: Čejka Jan (20.02.2018)

Teaching methods
	Activity	Credits	Hours
	Účast na přednáškách	1	28
	Příprava na přednášky, semináře, laboratoře, exkurzi nebo praxi	1	28
	Příprava na zkoušku a její absolvování	1.5	42
	Účast na seminářích	0.5	14
		4 / 4	112 / 112