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Quantitative powder diffraction using a (2 + 3) surface diffractometer and an area detector

DOI: 10.1107/S1600576721006245 DOI Help

Authors: Giuseppe Abbondanza (Lund University) , Alfred Larsson (Lund University) , Francesco Carla (Diamond Light Source) , Edvin Lundgren (Lund University) , Gary S. Harlow (University of Copenhagen)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of Applied Crystallography , VOL 54 , PAGES 1140 - 1152

State: Published (Approved)
Published: August 2021

Open Access Open Access

Abstract: X-ray diffractometers primarily designed for surface X-ray diffraction are often used to measure the diffraction from powders, textured materials and fiber-texture samples in 2θ scans. Unlike in high-energy powder diffraction, only a fraction of the powder rings is typically measured, and the data consist of many detector images across the 2θ range. Such diffractometers typically scan in directions not possible on a conventional laboratory diffractometer, which gives enhanced control of the scattering vector relative to the sample orientation. There are, however, very few examples where the measured intensity is directly used, such as for profile/Rietveld refinement, as is common with other powder diffraction data. Although the underlying physics is known, converting the data is time consuming and the appropriate corrections are dispersed across several publications, often not with powder diffraction in mind. This paper presents the angle calculations and correction factors required to calculate meaningful intensities for 2θ scans with a (2 + 3)-type diffractometer and an area detector. Some of the limitations with respect to texture, refraction and instrumental resolution are also discussed, as is the kind of information that one can hope to obtain.

Journal Keywords: powder diffraction; Rietveld refinement; angle calculations; grazing incidence; area detectors.

Subject Areas: Physics, Mathematics

Instruments: I07-Surface & interface diffraction

Added On: 06/08/2021 14:57


Discipline Tags:

Engineering & Technology Detectors Physics Surfaces Mathematics

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