X-ray Powder Diffraction - D108004
Title: RTG fázová analýza
Guaranteed by: Department of Solid State Chemistry (108)
Faculty: Faculty of Chemical Technology
Actual: from 2013
Semester: winter
Points: winter s.:0
E-Credits: winter s.:0
Examination process: winter s.:
Hours per week, examination: winter s.:0/0, other [HT]
Capacity: unknown / unknown (unknown)
Min. number of students: unlimited
Language: Czech
Teaching methods: full-time
Teaching methods: full-time
For type:  
Note: course is intended for doctoral students only
can be fulfilled in the future
Guarantor: Čejka Jan Ing. Ph.D.
Maixner Jaroslav RNDr. CSc.
Is interchangeable with: AP108002, P108002
Examination dates   
Annotation -
Last update: TAJ108 (20.05.2014)
The lectures are focused on quantitative and semi-quantitative phase analysis. The students will deal with sample preparation for powder XRD analysis, data collection and quantitative analysis of powder diffractogram in Highscore+ software bundle, including PDF4+ search. The lectures are suitable for postgraduate students.
Aim of the course -
Last update: Čejka Jan Ing. Ph.D. (17.05.2014)

The students will be able to:

analyze with powder diffraction pattern in Highscore+

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

analyze and index a simple mixture of phases

basics of Rietveld refinement, calculate theoretical powder pattern

Literature -
Last update: TAJ108 (29.09.2015)

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

R: Manual of Highscore+.

R: Manual of Mercury.

R: Manual of search-match programm in Cambridge Structure Database

Syllabus -
Last update: Čejka Jan Ing. Ph.D. (17.05.2014)

CIF based theoretical powder calculation in Highscore +

Quantitative analysis using Rietveld's method

Analysis of amorphous content in powder sample

Size of crystallites, Hall-Williamson graph

Advanced PDF4+ search

Advanced CSD search

Output of graphical results, Mercury and Ortep software

Course completion requirements -
Last update: TAJ108 (20.05.2014)

Exam, prove skills working with real diffractogram.

Coursework assessment
Form Significance
Report from individual projects 30
Oral examination 70