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Crystal structure analysis

Class at Faculty of Science |
MC240P15

Syllabus

Symmetrysymmetry operation, elements; point group, lattices, crystal systems, space group, basic crystallographic computing, International Tables of Crystallography A.

Reciprocal lattice

Sources of radiation for structural analysis, monochromatization, detectors

Interaction of X-ray with matter: fluorescence, emission, scattering.

Geometrical condition of diffraction: Bragg's law, Laue conditions, Ewald construction

Basic experimental method's: Laue method, Weissenberg camera, precession camera, Debye-Scherrer camera, diffractometers,

Kinematic theory of diffraction: Thomson scattering, scattering by atom, scattering by unit cell, diffraction on small crystal, LP-factor, temperature factor.

Structure factor, symmetry in reciprocal space, Fourier methods

Solution and refinement of crystal structure solution of phase problem: heavy atom method, isomorphous replacement method, anomalous scattering; direct methods completing and refining structure: difference Fourier method, refinement in direct and reciprocal space.

Basic of dynamical diffraction theory

Structure of polycrystalline materials: qualitative and quantitative phase analysis

Crystallographic databases: CSD, ICSD, PDF.

Introduction to proteins crystallography

Aperiodic crystals.

Selected physical properties of crystal.

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.