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Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

104
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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Structures of Solids02:22

Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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Related Experiment Video

Updated: Mar 31, 2026

Quantitative Atomic-Site Analysis of Functional Dopants/Point Defects in Crystalline Materials by Electron-Channeling-Enhanced Microanalysis
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Ab initio determination of solid-state nanostructure.

P Juhás1, D M Cherba, P M Duxbury

  • 1Department of Physics and Astronomy, Michigan State University, East Lansing, Michigan 48824, USA.

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|March 31, 2006
PubMed
Summary
This summary is machine-generated.

Determining atomic structures without single crystals is now possible for nanostructured materials. New algorithms use diffraction data and distance geometry for ab initio structure solution, even for non-crystalline substances.

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Characterization of Ultra-fine Grained and Nanocrystalline Materials Using Transmission Kikuchi Diffraction
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Area of Science:

  • Materials Science
  • Nanotechnology
  • Structural Biology

Background:

  • Crystallography enables atomic structure characterization but fails for non-periodic materials.
  • Many advanced nanomaterials lack long-range order, hindering traditional structure determination.

Purpose of the Study:

  • To demonstrate ab initio structure solution for nanostructured materials lacking single crystals.
  • To validate new algorithms for reconstructing structures from diffraction data and distance geometry.

Main Methods:

  • Utilizing atomic pair distribution function (PDF) for precise interatomic distance data.
  • Developing and applying two novel algorithms for structure reconstruction from unassigned distance information.
  • Testing algorithms on various clusters and the C60 molecule.

Main Results:

  • Successful ab initio structure solution for C60 using only PDF data.
  • Validation of algorithms for reconstructing structures from precise interatomic distances.
  • Demonstrated feasibility of solving structures for non-crystalline nanomaterials.

Conclusions:

  • Enables sub-ångström resolution structure determination for nanomaterials where crystallography fails.
  • Opens new avenues for characterizing complex inorganic materials in nanotechnology.
  • Advances the field of materials science by providing tools for disordered systems.