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Related Concept Videos

X-ray Crystallography02:18

X-ray Crystallography

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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.
Diffraction
Diffraction is the change in the direction of travel experienced by an electromagnetic wave when it encounters a physical barrier whose dimensions are comparable to those of the wavelength of the light. X-rays are electromagnetic radiation with wavelengths about as long as the distance between neighboring...
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Determination of Crystal Structures01:29

Determination of Crystal Structures

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In the late 1800s, the revelation that light extended beyond visible wavelengths led to the discovery of X-rays by Wilhelm Roentgen. Recognized as high-energy electromagnetic radiation with short wavelengths, X-rays prompted exploration into their interaction with crystals. Max von Laue proposed in 1912 that the periodic arrangement of atoms, ions, or molecules in crystals would cause them to diffract X-rays, a hypothesis confirmed through experiments with copper sulfate and zinc sulfide...
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X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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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.
According to Bragg's law, when X-rays strike the sample positioned on a stage, the rays are  scattered by the electron clouds around the sample atoms. The  X-ray diffraction or scattering is caused by constructive interference of the X-ray waves that reflect off the internal...
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Interference and Diffraction02:18

Interference and Diffraction

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Interference is a characteristic phenomenon exhibited by waves. When two electromagnetic waves interact with their peaks and troughs coinciding, a resulting wave with enhanced amplitude is produced. This is known as constructive interference. In this case, the two waves interacting are in phase with each other.
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The de Broglie Wavelength02:32

The de Broglie Wavelength

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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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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
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Related Experiment Video

Updated: Apr 30, 2026

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
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X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects

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A new theory for X-ray diffraction.

Paul F Fewster1

  • 1PANalytical Research Centre, Sussex Innovation Centre, Falmer, Brighton, East Sussex BN1 9SB, UK.

Acta Crystallographica. Section A, Foundations and Advances
|May 13, 2014
PubMed
Summary

A new X-ray scattering theory explains diffraction peaks from few crystallites and enhances intensity prediction accuracy. This diffuse scattering model improves reliability in powder diffraction measurements and data analysis.

Keywords:
diffraction theorypowder diffractionsmall crystals

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Area of Science:

  • Crystallography
  • Materials Science
  • Physics

Background:

  • Conventional X-ray scattering theory faces limitations in explaining diffraction from samples with few crystallites.
  • Existing models struggle to accurately predict intensity ratios and temperature factors in powder diffraction.

Purpose of the Study:

  • To propose a novel theory of X-ray scattering with enhanced relevance to powder diffraction.
  • To provide a more accurate theoretical framework for understanding and analyzing powder diffraction data.

Main Methods:

  • Development of a new theory where crystal scattering is distributed throughout space.
  • Application of the theory to predict scattering profiles, including peak widths and background.
  • Re-evaluation of factors like the Lorentz factor based on a generalized capture volume.

Main Results:

  • The theory explains enhanced scatter at Bragg positions even when the Bragg condition is not met.
  • It accurately predicts intensity ratios for silicon powder samples with more realistic temperature factors.
  • Demonstrates improved agreement with experimental observations regarding intensity measurement reliability.

Conclusions:

  • The new theory offers a more comprehensive understanding of powder diffraction, including peak intensities and background.
  • It addresses limitations of conventional theory, particularly for samples with limited crystallites.
  • Potential for increased accuracy in structural model analysis and improved reliability in powder diffraction measurements.