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Related Concept Videos

Determination of Crystal Structures01:29

Determination of Crystal Structures

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...
X-ray Crystallography02:18

X-ray Crystallography

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...
Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

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...
X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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 crystal...
Crystallographic Point Groups01:29

Crystallographic Point Groups

Crystallographic point groups represent the various symmetry operations that can occur within crystals. They are unique in that at least one point will always remain unchanged during these actions. For instance, consider the triclinic system. This system, devoid of any axis or plane of symmetry, aligns with the C1 and Ci point groups.where Cᵢ is characterized solely by a center of inversion.Contrastingly, the monoclinic system introduces an element of symmetry. This system with one plane and...

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Updated: May 23, 2026

Microcrystallography of Protein Crystals and In Cellulo Diffraction
09:35

Microcrystallography of Protein Crystals and In Cellulo Diffraction

Published on: July 21, 2017

The pseudo-single-crystal method: a third approach to crystal structure determination.

Tsunehisa Kimura, Chengkang Chang, Fumiko Kimura

    Journal of Applied Crystallography
    |April 6, 2012
    PubMed
    Summary

    Researchers developed a new method to get single-crystal X-ray diffraction data from powder samples. This technique uses magnetic fields and photopolymerization to align microrods, enabling crystal structure determination.

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    High Pressure Single Crystal Diffraction at PX^2
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    Microcrystallography of Protein Crystals and In Cellulo Diffraction
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    Published on: July 21, 2017

    Crystallization and In Situ Room Temperature Data Collection Using the Crystallization Facility at Harwell and Beamline VMXi, Diamond Light Source
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    Published on: March 8, 2024

    High Pressure Single Crystal Diffraction at PX^2
    11:32

    High Pressure Single Crystal Diffraction at PX^2

    Published on: January 16, 2017

    Area of Science:

    • Materials Science
    • Crystallography
    • Solid-State Chemistry

    Background:

    • Obtaining single-crystal X-ray diffraction data is crucial for determining crystal structures.
    • Powder samples typically yield complex diffraction patterns, making structure solution challenging.
    • Existing methods for single-crystal analysis often require large, high-quality single crystals, which are not always available.

    Purpose of the Study:

    • To present a novel method for acquiring single-crystal diffraction data from powder samples.
    • To enable crystal structure determination of materials that are difficult to grow as single crystals.
    • To validate the accuracy of the determined crystal structure against conventional methods.

    Main Methods:

    • A suspension of lithium cobalt phosphate (LiCoPO4) microrods was prepared.
    • Microrods were aligned using a frequency-modulated dynamic elliptical magnetic field.
    • Alignment was stabilized via photopolymerization of a UV-curable monomer, creating a pseudo single crystal composite.
    • X-ray diffraction data was collected from the pseudo single crystal.
    • Crystal structure was solved using standard single-crystal X-ray analysis techniques.

    Main Results:

    • The novel method successfully generated X-ray diffraction data from aligned LiCoPO4 microrods.
    • A pseudo single crystal composite was fabricated, exhibiting properties suitable for single-crystal analysis.
    • The crystal structure determined from the pseudo single crystal was in good agreement with previously reported data.
    • This demonstrates the feasibility of solving crystal structures from powder samples using this technique.

    Conclusions:

    • The developed method provides a viable route to obtain single-crystal diffraction data from powder samples.
    • This approach overcomes limitations associated with growing bulk single crystals for X-ray analysis.
    • The technique has significant implications for materials characterization and discovery, particularly for micro- or nano-crystalline materials.