SubjectsSubjects(version: 950)
Course, academic year 2021/2022
X-ray Powder Diffraction - AP108002
Title: X-ray Powder Diffraction
Guaranteed by: Department of Solid State Chemistry (108)
Faculty: Faculty of Chemical Technology
Actual: from 2019
Semester: both
Points: 0
E-Credits: 0
Examination process:
Hours per week, examination: 3/0, other [HT]
Capacity: winter:unknown / unknown (unknown)
summer:unknown / unknown (unknown)
Min. number of students: unlimited
Language: English
Teaching methods: full-time
Teaching methods: full-time
For type: doctoral
Note: course is intended for doctoral students only
can be fulfilled in the future
you can enroll for the course in winter and in summer semester
Guarantor: Čejka Jan Ing. Ph.D.
Maixner Jaroslav RNDr. CSc.
Interchangeability : P108002
Annotation -
Last update: Pátková Vlasta (19.11.2018)
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.
Aim of the course -
Last update: Pátková Vlasta (19.11.2018)

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.

Literature -
Last update: Kubová Petra Ing. (30.11.2018)

R: Manual of Highscore Plus.

R: Manual of Mercury.

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

Learning resources -
Last update: Pátková Vlasta (19.11.2018)

Teaching methods -
Last update: Pátková Vlasta (19.11.2018)

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

Syllabus -
Last update: Pátková Vlasta (19.11.2018)

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.

Entry requirements -
Last update: Pátková Vlasta (19.11.2018)


Course completion requirements -
Last update: Pátková Vlasta (19.11.2018)

Oral exam, prove skills working with real powder pattern.