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Indexing grazing-incidence X-ray diffraction patterns of thin films: lattices of higher symmetry

Author(s): Simbrunner J; Hofer S; Schrode B; Garmshausen Y; Hecht S; Resel R; Salzmann I;

Grazing-incidence X-ray diffraction studies on organic thin films are often performed on systems showing fibre-textured growth. However, indexing their experimental diffraction patterns is generally challenging, especially if low-symmetry lattices are invol...

Article GUID: 30996719


Title:Indexing grazing-incidence X-ray diffraction patterns of thin films: lattices of higher symmetry
Authors:Simbrunner JHofer SSchrode BGarmshausen YHecht SResel RSalzmann I
Link:https://pubmed.ncbi.nlm.nih.gov/30996719/
DOI:10.1107/S1600576719003029
Category:J Appl Crystallogr
PMID:30996719
Dept Affiliation: CERMM
1 Department of Neuroradiology, Vascular and Interventional Radiology, Medical University Graz, Auenbruggerplatz 9, Graz, 8036, Austria.
2 Institute of Solid State Physics, Technical University Graz, Petersgasse 16, Graz, 8010, Austria.
3 Department of Chemistry and IRIS Adlershof, Humboldt-Universität zu Berlin, Brook-Taylor-Strasse 2, Berlin, 12489, Germany.
4 Department of Physics, Department of Chemistry and Biochemistry, Centre for Research in Molecular Modeling (CERMM), Centre for Nanoscience Research (CeNSR), Concordia University, 7141 Sherbrooke Street W., SP 265-20, Montreal, Quebec, Canada H4B 1R6.

Description:

Grazing-incidence X-ray diffraction studies on organic thin films are often performed on systems showing fibre-textured growth. However, indexing their experimental diffraction patterns is generally challenging, especially if low-symmetry lattices are involved. Recently, analytical mathematical expressions for indexing experimental diffraction patterns of triclinic lattices were provided. In the present work, the corresponding formalism for crystal lattices of higher symmetry is given and procedures for applying these equations for indexing experimental data are described. Two examples are presented to demonstrate the feasibility of the indexing method. For layered crystals of the prototypical organic semiconductors di-indeno-perylene and (ortho-di-fluoro)-sexi-phenyl, as grown on highly oriented pyrolytic graphite, their yet unknown unit-cell parameters are determined and their crystallographic lattices are identified as monoclinic and orthorhombic, respectively.