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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 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...
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...
Structures of Solids02:22

Structures of Solids

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...
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...
Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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: May 29, 2026

X-ray Powder Diffraction in Conservation Science: Towards Routine Crystal Structure Determination of Corrosion Products on Heritage Art Objects
09:16

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

Published on: June 8, 2016

Powder diffraction crystallography of molecular solids.

Kenneth D M Harris1

  • 1School of Chemistry, Cardiff University, Park Place, Cardiff, Wales, CF10 3AT, UK. HarrisKDM@cardiff.ac.uk

Topics in Current Chemistry
|September 29, 2011
PubMed
Summary

Powder X-ray diffraction (PXRD) now enables crystal structure determination for materials previously limited to microcrystalline powders. This technique offers new opportunities in structural and materials chemistry.

Area of Science:

  • Materials Science
  • Crystallography
  • Chemistry

Background:

  • Many essential crystalline solids are difficult to grow as single crystals for structural analysis using traditional X-ray diffraction.
  • These materials are often only obtainable as microcrystalline powders, limiting their characterization.
  • Advances in powder X-ray diffraction (PXRD) data analysis present a solution.

Purpose of the Study:

  • To survey the applications of PXRD in structural and materials chemistry.
  • To highlight recent advancements in crystal structure determination directly from PXRD data.
  • To emphasize the potential of PXRD for analyzing molecular crystal structures.

Main Methods:

  • Utilizing powder X-ray diffraction (PXRD) data for crystal structure determination.

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High Pressure Single Crystal Diffraction at PX^2
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High Pressure Single Crystal Diffraction at PX^2

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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene
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Measurements of Long-range Electronic Correlations During Femtosecond Diffraction Experiments Performed on Nanocrystals of Buckminsterfullerene

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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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Published on: August 22, 2017

  • Applying advanced analytical techniques to extract structural information from powder samples.
  • Reviewing case studies across diverse materials chemistry disciplines.

    • Main Results:

    • PXRD is increasingly effective for complete crystal structure determination from powder samples.
    • This approach overcomes limitations of single-crystal X-ray diffraction for certain materials.
    • Successful applications demonstrated across various fields of materials chemistry.

    Conclusions:

    • Powder X-ray diffraction is a powerful and evolving strategy for crystal structure determination.
    • It significantly expands the range of materials amenable to detailed structural analysis.
    • Future potential is substantial for advancing materials chemistry research.