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Related Experiment Video

Updated: Dec 14, 2025

$High Pressure Single Crystal Diffraction at PX^2$

High Pressure Single Crystal Diffraction at PX^2

Published on: January 16, 2017

Accurate high-resolution single-crystal diffraction data from a Pilatus3 X CdTe detector.

Lennard Krause¹, Kasper Tolborg¹, Thomas Bjørn Egede Grønbech¹

¹Center for Materials Crystallography, Department of Chemistry, Aarhus University, Langelandsgade 140, Aarhus 8000, Denmark.

Journal of Applied Crystallography

|July 21, 2020

Summary

Hybrid photon-counting detectors offer high detection efficiency but struggle with strong X-ray beams. Attenuation is needed for accurate measurements, enabling precise electron-density models.

Keywords:

electron density hybrid single-photon-counting area detectors inorganic chemistry materials science synchrotron radiation

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Area of Science:

Materials Science
Crystallography
X-ray Diffraction

Background:

Hybrid photon-counting detectors (e.g., Pilatus3 X CdTe) show promise for charge-density investigations.
Their high-energy X-ray detection efficiency and dynamic range address simultaneous strong/weak data detection.
However, high diffracted beam flux presents challenges in single-crystal diffraction.

Purpose of the Study:

To investigate systematic errors in strong intensity measurements with hybrid photon-counting detectors.
To evaluate the adequacy of existing detector intensity corrections.
To demonstrate accurate structure factor measurements using these detectors.

Main Methods:

Collected X-ray diffraction data on FeSb2 and rubrene at varying beam fluxes.
Analyzed intensity differences and assessed detector correction performance.
Employed beam attenuation for strong reflections and standard crystallographic software for data processing.

Main Results:

Found systematic differences in strong intensities across different beam fluxes, indicating inadequate detector corrections.
Demonstrated that significant beam attenuation is necessary to correct for these errors.
Showed that low background enables accurate measurement of weak intensities.

Conclusions:

Photon-counting detectors can achieve highly accurate structure factor measurements.
Careful background estimation and beam attenuation are crucial for reliable data.
This study provides more accurate electron-density models than previous investigations.