Bruker AXS X-ray diffraction solutions for the advanced characterization of solid state ionics – from atoms to devices
Vernon Smith a
a Bruker Corporation
Proceedings of 24th International Conference on Solid State Ionics (SSI24)
London, United Kingdom, 2024 July 14th - 19th
Organizers: John Kilner and Stephen Skinner
Industry, Vernon Smith, presentation 627
Publication date: 10th April 2024

Bruker AXS provides scientists with a range of high-performance X-ray diffractometers to deliver the most detailed insight into the structural factors relevant to ion transport. This presentation will provide an introduction to information that can be obtained using various diffraction techniques and the instruments used to achieve them.

SC-XRD uniquely determines the precise atom coordinates required for understanding subtle structural details that affect ion transport such as polyhedral volume, bottleneck size, coordination site environments and anisotropic thermal motion of ions which indicate ion migration pathways. Bruker AXS provide a range of diffractometers running the APEX5 software suite to enable you to gain a deep understanding of the structure of solid state ionics quickly and conveniently on even the most challenging samples.

X-ray powder diffraction is widely used to study the long range structure of crystalline ion conductors, and conveniently provides accurate information on lattice volume and lattice symmetry. Rietveld refinement using TOPAS allows you to model atomic lattice coordinates. The speed and convenience of XRPD means the method is perfectly suited to measure samples under non-ambient conditions.

X-ray diffraction is also applied to the study of structural changes in assembled battery cells In operando diffraction allows researchers to follow the reactions that occur during cycling and to monitor degradation behavior to battery performance.

Short-range structure, such as local distortions, can greatly affect ion transport. Pair distribution function (PDF) data consists of both Bragg and diffuse scattering information. Therefore, PDF data probes not only long-range structures, such as lattice parameters, but also short range structures such as local distortion. PDF analysis can be performed on both single crystal and powder samples.


Gao, Y. et al. Classical and Emerging Characterization Techniques for Investigation of Ion Transport Mechanisms in Crystalline Fast Ionic Conductors. Chemical Reviews 2020, 120, 13, 5954 – 6008.

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