Specimen-displacement correction for powder X-ray diffraction in Debye-Scherrer geometry with a flat area detector.

ABSTRACT: The effect of small changes in the speci-men-to-detector distance on the unit-cell parameters is examined for synchrotron powder diffraction in Debye-Scherrer (transmission) geometry with a flat area detector. An analytical correction equation is proposed to fix the shift in 2θ values due to speci-men capillary displacement. This equation does not require the use of an internal reference material, is applied during the Rietveld refinement step, and is analogous to the speci-men-displacement correction equations for Bragg-Brentano and curved-detector Debye-Scherrer geometry experiments, but has a different functional form. The 2θ correction equation is compared with another speci-men-displacement correction based on the use of an internal reference material in which new integration and cali

SUBMITTER: Hulbert BS 

PROVIDER: S-EPMC9901925 | biostudies-literature | 2023 Feb

REPOSITORIES: biostudies-literature