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

Josef Simbrunner, Sebastian Hofer, Benedikt Schrode, Yves Garmshausen, Stefan Hecht, Roland Resel, Ingo Salzmann

Research output: Contribution to journalArticlepeer-review


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 di­indeno­perylene and (ortho-di­fluoro)­sexi­phenyl, 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.
Original languageEnglish
Pages (from-to)428-439
JournalJournal of Applied Crystallography
Publication statusPublished - 2019

Cite this