SubjectsSubjects(version: 863)
Course, academic year 2019/2020
  
X-Ray Phase Analysis II - AM108012
Title: X-Ray Phase Analysis II
Guaranteed by: Department of Solid State Chemistry (108)
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 [hours/week]
Capacity: unknown / unknown (10)
Min. number of students: 5
Language: English
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
Annotation -
Last update: Kubová Petra Ing. (15.01.2018)
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.
Aim of the course -
Last update: Kubová Petra Ing. (15.01.2018)

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.

Literature -
Last update: Čejka Jan Ing. Ph.D. (22.02.2018)

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

Learning resources -
Last update: Čejka Jan Ing. Ph.D. (20.02.2018)

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

Syllabus -
Last update: Kubová Petra Ing. (15.01.2018)

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.

Course completion requirements
Last update: Čejka Jan Ing. Ph.D. (20.02.2018)

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

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
Coursework assessment
Form Significance
Oral examination 100

 
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