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X-ray Diffraction of Biological Samples01:10

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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 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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Transmission electron microscopy (TEM) can be used to determine the 3D structure of biological samples with the help of techniques such as electron microscope tomography and single-particle reconstruction. While single-particle reconstruction can examine macromolecules and macromolecular complexes in vitro conditions only, tomography permits the study of cell components or small cells in vivo.
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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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Related Experiment Video

Updated: Apr 15, 2026

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
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Three-dimensional electron diffraction as a complementary technique to powder X-ray diffraction for phase

Yifeng Yun1, Xiaodong Zou1, Sven Hovmöller1

  • 1Berzelii Center EXSELENT on Porous Materials and Inorganic and Structural Chemistry, Department of Materials and Environmental Chemistry, Stockholm University, SE-10691 Stockholm, Sweden.

Iucrj
|April 14, 2015
PubMed
Summary

Automated three-dimensional electron diffraction (3D ED) methods like ADT and RED offer powerful, fast phase identification and structure determination for nano- to micron-sized particles, complementing X-ray diffraction (XRD). These 3D ED techniques are becoming as feasible as XRD for structure solution.

Keywords:
phase identificationpowder X-ray diffractionstructure determinationthree-dimensional electron diffraction

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Area of Science:

  • Materials Science
  • Chemistry
  • Physics

Background:

  • Phase identification and structure determination are crucial in materials science, chemistry, and physics.
  • Traditional methods like X-ray diffraction (XRD) and two-dimensional electron diffraction (2D ED) have limitations.
  • Recent advancements have introduced automated three-dimensional electron diffraction (3D ED) data collection techniques.

Purpose of the Study:

  • To describe automated diffraction tomography (ADT) and rotation electron diffraction (RED) methods for 3D ED.
  • To highlight the advantages of 3D ED over XRD and 2D ED for phase identification and structure determination.
  • To showcase the complementary nature of 3D ED and powder X-ray diffraction (PXRD) for complex samples.

Main Methods:

  • Automated diffraction tomography (ADT) for 3D ED data collection.
  • Rotation electron diffraction (RED) for 3D ED data collection.
  • Combination of 3D ED methods with powder X-ray diffraction (PXRD).

Main Results:

  • 3D ED methods (ADT and RED) enable collection of almost complete diffraction data.
  • Reduced dynamic scattering effects in 3D ED compared to zonal ED patterns.
  • Successful application of combined 3D ED and PXRD for diverse materials including zeolites, MOFs, and intermetallics.

Conclusions:

  • 3D ED is a powerful technique for structure solution and phase identification from individual nano- to micron-sized particles.
  • 3D ED and PXRD are complementary techniques, especially for multiphase samples and complex crystal structures.
  • While 3D ED is becoming as feasible as XRD, further development is needed for comparable accuracy.