Institute of Solid State Physics


SS22WS22SS23WS23SS24WS24      Guidelines for Master Students

Indexing of GIXD-Patterns
Manuel Kainz
12:15 - 13:15 Wednesday 24 June 2020 PH 01 150

Link to the talk



Increasing interest in organic molecules drives the search for new polymorphs and quantitative structural characterization by X-ray diffraction experiments. Grazing Incidence X-ray Diffraction (GIXD) has proven to be one reliable diffraction technique to identify possible unit cell parameters, thereby helping to determine crystal structure solutions. In the present work, possible unit cell parameter solutions are calculated by systematical permutation of Laue indices and their assignment to diffraction peaks. The solutions are then evaluated by their mean deviation in reciprocal space vectors. The so obtained numerical solutions are classified and evaluated by basic crystallographic conventions. The aim of this master thesis is to offer a holistic software package for indexing and evaluation of unit cell parameters for Grazing Incidence X-ray Diffraction patterns.