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Related Concept Videos

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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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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Schottky defects arise when some lattice points in a crystal, such as those in NaCl, remain unoccupied, creating lattice vacancies without disturbing the overall electrical neutrality of the crystal. This defect is common in ionic crystals where the positive and negative ions are similar in size, as seen in sodium chloride and cesium chloride. The presence of Schottky defects enables the crystal to conduct electricity to a small extent through an ionic mechanism. Electric fields cause nearby...
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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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Diffuse single-crystal scattering corrected for molecular form factor effects.

Ella Schmidt1, Reinhard B Neder1

  • 1Lehrstuhl für Kristallografie und Strukturphysik, Friedrich-Alexander-Universität Erlangen-Nürnberg, Staudtstrasse 3, 91058 Erlangen, Germany.

Acta Crystallographica. Section A, Foundations and Advances
|April 28, 2017
PubMed
Summary
This summary is machine-generated.

This study introduces a new method to determine chemical short-range order in molecular crystals by analyzing diffraction patterns. The technique successfully separates molecular form factors, offering direct insights into crystal structures.

Keywords:
diffuse scatteringmolecular form factors

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Area of Science:

  • Crystallography
  • Materials Science
  • Solid-State Chemistry

Background:

  • Chemical short-range order (CSRO) is crucial for understanding molecular crystal properties.
  • Existing methods for CSRO determination can be complex and indirect.

Purpose of the Study:

  • To develop and demonstrate a direct method for solving CSRO in two-component molecular crystals.
  • To validate the technique by analyzing diffuse scattering data.

Main Methods:

  • Separation of the molecular form factor from the diffraction pattern.
  • Analysis of diffuse scattering data.

Main Results:

  • A novel technique for directly solving CSRO was successfully developed.
  • The method was demonstrated using diffuse scattering analysis of tris-tert-butyl-1,3,5-benzene tricarboxamide.

Conclusions:

  • The proposed method provides a direct route to determining CSRO in molecular crystals.
  • This technique simplifies the analysis of crystal structures and their ordering.