SubjectsSubjects(version: 953)
Course, academic year 2023/2024
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Crystal structure analysis - MC240P15
Title: Krystalová strukturní analýza
Czech title: Krystalová strukturní analýza
Guaranteed by: Department of Inorganic Chemistry (31-240)
Faculty: Faculty of Science
Actual: from 2019 to 2023
Semester: winter
E-Credits: 3
Examination process: winter s.:
Hours per week, examination: winter s.:2/1, Ex [HT]
Capacity: unlimited
Min. number of students: unlimited
4EU+: no
Virtual mobility / capacity: no
State of the course: taught
Language: Czech
Additional information: http://dl2.cuni.cz/course/view.php?id=1231
Note: enabled for web enrollment
Guarantor: RNDr. Ivana Císařová, CSc.
Teacher(s): RNDr. Ivana Císařová, CSc.
Is co-requisite for: MC240C26, MC240C15
Annotation -
The aim of the course is to lay foundation in the key areas of X-Ray crystallography. The lectures with accompany seminaries are covering following areas on basic level: crystal symmetry, kinematic theory of diffraction, experimental techniques in powder and monocrystal diffraction, crystal structure solution of small molecules, qualitative and quantitative phase analysis, crystallographic databases, aperiodic crystals, selected physical properties of crystals.
This course is part of master's degree cycle.
Last update: Císařová Ivana, RNDr., CSc. (23.10.2019)
Literature -

  • Giacolazzo et. al.: Fundamentals of crystallography, Oxford University Press.

    Last update: Kubíček Vojtěch, doc. RNDr., Ph.D. (07.10.2013)
  • Requirements to the exam -

    The examination is combined, divided into two parts. Written test and oral exam. In the written test is required 90% of correct answers.
    The oral exam consists of five questions covering whole scope of lecture.

    Last update: Císařová Ivana, RNDr., CSc. (22.02.2024)
    Syllabus -
    1. Symmetry
      symmetry operation, elements; point group, lattices, crystal systems, space group, basic crystallographic computing, International Tables of Crystallography A.
    2. Reciprocal lattice
    3. Sources of radiation for structural analysis, monochromatization, detectors
    4. Interaction of X-ray with matter: fluorescence, emission, scattering.
    5. Geometrical condition of diffraction: Bragg's law, Laue conditions, Ewald construction
    6. Basic experimental method's: Laue method, Weissenberg camera, precession camera, Debye-Scherrer camera, diffractometers,
    7. Kinematic theory of diffraction: Thomson scattering, scattering by atom, scattering by unit cell, diffraction on small crystal, LP-factor, temperature factor.
    8. Structure factor, symmetry in reciprocal space, Fourier methods
    9. Solution and refinement of crystal structure

      1. solution of phase problem: heavy atom method, isomorphous replacement method, anomalous scattering; direct methods
      2. completing and refining structure: difference Fourier method, refinement in direct and reciprocal space.
    10. Basic of dynamical diffraction theory
    11. Structure of polycrystalline materials: qualitative and quantitative phase analysis
    12. Crystallographic databases: CSD, ICSD, PDF.
    13. Introduction to proteins crystallography
    14. Aperiodic crystals.
    15. Selected physical properties of crystal.
    Last update: Císařová Ivana, RNDr., CSc. (23.10.2019)
    Entry requirements - Czech

    Pro porozumnění přednášce jsou nutné znalosti z matematiky a fyziky na úrovni základních kurzu těchto předmětů v rámci bakalářského studia. např : MS710P52-55.

     

    Last update: Císařová Ivana, RNDr., CSc. (23.10.2019)
     
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