SubjectsSubjects(version: 949)
Course, academic year 2021/2022
X-Ray Phase Analysis I - AM108002
Title: X-Ray Phase Analysis I
Guaranteed by: Department of Solid State Chemistry (108)
Faculty: Faculty of Chemical Technology
Actual: from 2019
Semester: winter
Points: winter s.:4
E-Credits: winter s.:4
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, C+Ex [HT]
Capacity: 10 / 10 (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Teaching methods: full-time
For type: Master's (post-Bachelor)
Note: course can be enrolled in outside the study plan
enabled for web enrollment
Guarantor: Čejka Jan Ing. Ph.D.
Interchangeability : N108008
Annotation -
Last update: Kubová Petra Ing. (15.01.2018)
The aim is to teach students basic crystallographic knowledge, some application of X-ray techniques mainly for polycrystalline materials - qualitative and semiquantitative phase analysis. Students will learn to prepare polycrystalline specimen into a holder, to prepare program for X-ray data collection and to evaluate powder pattern in HighScore Plus 3.0 program. Students will learn to work with program HighScore Plus 3.0 and perform search-match in the database PDF4+.
Aim of the course -
Last update: Kubová Petra Ing. (15.01.2018)

Students will be able to:

apply basic crystallographic knowledge;

evaluate powder patterns using HighScore Plus 3.0 program.

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)

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

1. Historical facts and practical applications of X-ray radiation.

2. Amorphous and crystalline materials, macroscopic crystal definition, crystal symmetry and point groups.

3. Crystal systems=lattice, motive, space centering, lattice points, directions and planes.

4. Direct and reciprocal lattice, screw axes, slide planes, space groups.

5. Isomorphism, polymorphism.

6. Basic theory of diffraction.

7. Atomic scattering factor.

8. Ewald demonstration of the Bragg law, structure factor and relation to atomic positions.

9. White(continuous) and characteristic X-ray radiation, its properties.

10. X-ray sources, monochromator techniques and 0D,1D, 2D X-ray detectors.

11. Some application of X-ray techniques in polycrystalline materials.

12. Accurate lattice parameter measurements.

13. Identification of unknown phases - qualitative phase analysis.

14. Crystallographic databases - PDF4+, PDF4-Organics, ICSD, CSD

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, evaluation of powder pattern 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