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X-ray Crystallography02:18

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The size of the unit cell and the arrangement of atoms in a crystal may be determined from measurements of the diffraction of X-rays by the crystal, termed X-ray crystallography.
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X-ray diffraction or XRD is an analytical tool that utilizes X-rays to study ordered structures such as crystalline organic and inorganic samples, polycrystalline materials, proteins, carbohydrates, and drugs.
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In the macroscopic world, objects that are large enough to be seen by the naked eye follow the rules of classical physics. A billiard ball moving on a table will behave like a particle; it will continue traveling in a straight line unless it collides with another ball, or it is acted on by some other force, such as friction. The ball has a well-defined position and velocity or well-defined momentum, p = mv, which is defined by mass m and velocity v at any given moment. This is the typical...
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The perpendicular-axis theorem states that the moment of inertia of a planar object about an axis perpendicular to its plane is equal to the sum of the moments of inertia about two mutually perpendicular concurrent axes lying in the plane of the body.
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Updated: Sep 20, 2025

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
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Refuting `a new theory for X-ray diffraction' - a reciprocal-space approach.

Elias Vlieg1, Paul Tinnemans1, René de Gelder1

  • 1Radboud University, Institute for Molecules and Materials, Heyendaalseweg 135, Nijmegen, 6525AJ, The Netherlands.

Acta Crystallographica. Section A, Foundations and Advances
|May 27, 2025
PubMed
Summary
This summary is machine-generated.

Fewster's proposed new theory for X-ray diffraction is incorrect. Analysis shows conceptual errors in path length calculations, not a new scattering phenomenon.

Keywords:
X-ray diffractioncrystal terminationscattering theory

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Area of Science:

  • Crystallography
  • Materials Science
  • Physics

Background:

  • A novel X-ray diffraction theory was proposed to explain complete powder patterns from few-crystal samples.
  • This theory claimed to detect extra intensity at Bragg angles, suggesting a new X-ray scattering approach.

Purpose of the Study:

  • To critically re-evaluate Fewster's proposed X-ray diffraction theory.
  • To identify and clarify conceptual errors within the proposed theory using conventional scattering principles.

Main Methods:

  • Analysis of X-ray diffraction using conventional scattering theory.
  • Reciprocal space description of scattering phenomena.
  • Examination of path length calculations and residual intensity effects.

Main Results:

  • Fewster's theory contains conceptual errors in path length calculation, leading to deviations from conventional theory.
  • Residual intensity from crystal termination has minimal impact on typical powder diffraction patterns.

Conclusions:

  • The proposed theory does not represent a new approach to X-ray scattering.
  • The observed effects are attributable to calculation errors, not a novel phenomenon.