X-Ray Diffraction

  • What we do

    From the local to global average structure, we support structure investigations of materials from crystalline nanomaterials to macroscopic single crystals at ambient and non-ambient conditions.

  • What we do

    From the local to global average structure, we support structure investigations of materials from crystalline nanomaterials to macroscopic single crystals at ambient and non-ambient conditions.

X-ray Diffraction

X-rays are scattered by the electronic shells of the atoms. Regular periodic arrangement of the atoms leads to sharp diffraction peaks described by the Bragg-equation, all deviations from the periodicity gives rise to the so-called diffuse scattering. Bragg-scattering can be evaluated by Rietveld-refinements. With adapted measurement techniques the sample’s diffuse scattering can be evaluated as well (Total-Scattering).

What kind of result do I get?

The measurement result is a diffractogram, which is used to determine the phase composition of the sample. In the case of well crystalline samples, Rietveld refinements use the Bragg scattering information to refine an average structure model. Total scattering data can be evaluated using either models based on statistical ensembles of crystallites (genetic-algorithms) or large super-cells of an average structure model in which disorder is included on every atomic position using Reverse-Monte-Carlo methods.

Area responsible

Prof. Dr. Thorsten M. Gesing

Application Scientist

Dr. Lars Robben
X-ray diffraction and SEM lab head
Radiation protection office @ CKfS
E-mail: lrobbenprotect me ?!uni-bremenprotect me ?!.de

Our key instruments

Stoe Stadi MP
Powder X-ray diffractometer

  • Transmission and reflection geometry with Mo radiation
  • Measurements from 10 K to 1800 K
  • Total-scattering pre-measurements for applications at large-scale research facilities
more

Bruker D8 Venture
4-circle diffractometer

  • Monochromatic Mo Kalpha radiation
  • 2D detector
  • Measurements from 170 K to 1270 K
more

Bruker D8 Advance
Cu and Mo X-ray powder diffractometer

  • Bragg-Brentano and transmission geometry
  • Measurements from 100 K to 1500 K
more

More available instruments

More information about the instrumentation available at MAPEX and MAPEX-CF can be found in the Instrument Database of the MAPEX Center for Materials and Processes.

A click on the logo will lead you to the database.

Research Highlights

Quantitative three-dimensional local order analysis
MAPEX Research Highlights|

Quantitative three-dimensional local order analysis of nanomaterials through electron diffraction

Ella Mara Schmidt; Paul Benjamin Klar; Yasar Krysiak; Petr Svora; Andrew L. Goodwin; Luke Palatinus

Nature Communications, 14 (2023)

doi:  10.1038/s41467-023-41934-y

Structure-property relationships in ordered materials have long been a core principle in materials design. However, the…


Figure from the publication
Materials Modelling| X-Ray Diffraction|

Halide-sodalites: thermal behavior at low temperatures and local deviations from the average structure

Marius Wolpmann, Martin Etter, Andrea Kirsch, Filippo Balzaretti, Wilke Dononelli, Lars Robben and Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials238 (2023), 27 - 38

https://doi.org/10.1515/zkri-2022-0037

Sodalites of the general type |Na8X2|[T1T2O4]6 with X = Cl−, Br…


[Translate to English:]
Correlated Workflows| In-situ, real-time investigations| X-Ray Diffraction| Spectroscopy| Electron Microscopy|

On red tin (II) oxide: temperature-dependent structural, spectroscopic, and thermogravimetric properties

Sarah Wittmann,  M. Mangir MurshedThorsten M. Gesing

Z. Anorg. Allg. Chem. 2022, 648, e20220031

https://doi.org/10.1002/zaac.202200311

Polycrystalline red tin(II)oxide (RSO) has been synthesized by a fast reflux method. X-ray powder diffraction (XRPD) data Rietveld refinement confirms the…


Updated by: MAPEX