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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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X-ray Diffraction of Biological Samples01:10

X-ray Diffraction of Biological Samples

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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.
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...
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X-ray Crystallography02:18

X-ray Crystallography

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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.
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...
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Imperfections in Crystal Structure: Non-Stoichiometric Defects01:29

Imperfections in Crystal Structure: Non-Stoichiometric Defects

29
Non-stoichiometric defects refer to a type of defect in the crystal structure of a compound where the ratio of its constituent elements deviates from the ideal stoichiometric ratio. There are two main types of non-stoichiometric defects: metal excess defects and metal deficiency defects.Metal excess defects occur when there is a slight surplus of metal ions than what is required by the stoichiometric ratio of the compound. For example, heating a sodium chloride crystal in sodium vapor results...
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Imperfections in Crystal Structure: Stoichiometric Point Defects01:26

Imperfections in Crystal Structure: Stoichiometric Point Defects

39
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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Related Experiment Video

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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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Conventional and Eccentric Uses of Crystallographic Databases in Practical Materials Identification Problems.

James A Kaduk1

  • 1Amoco Corporation, Naperville Analytical Technical Laboratory Services, P.O. Box 3011 MC F-9, Naperville, IL 60566.

Journal of Research of the National Institute of Standards and Technology
|January 1, 1996
PubMed
Summary

Crystallographic databases effectively solve material identification challenges for organic, coordination, and inorganic compounds. Relational versions of the Powder Diffraction File and NIST Crystal Data enhance these powerful identification tools.

Keywords:
Cambridge Structural DatabaseInorganic Crystal Structure DatabaseNIST Crystal DataPowder Diffraction Filecobalt pyromellitatecopper aluminum boratemagnesium chloride tetrahydratepalladium chloridepotassium aluminum boraterelational databasesterephthalic acidvanadium phosphate

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Area of Science:

  • Crystallography
  • Materials Science
  • Data Management

Background:

  • Crystallographic databases are essential for materials identification.
  • Conventional and unconventional applications exist for these databases.
  • Relational database technology offers enhanced data management capabilities.

Purpose of the Study:

  • To demonstrate the utility of crystallographic databases for materials identification.
  • To showcase diverse applications across various compound types.
  • To describe the development and implementation of relational database versions.

Main Methods:

  • Utilizing crystallographic databases for materials identification.
  • Applying databases to solve practical problems with organic, coordination, and inorganic compounds.
  • Developing and implementing fully-relational versions of the Powder Diffraction File and NIST Crystal Data.

Main Results:

  • Crystallographic databases, individually and combined, are powerful and cost-effective for materials identification.
  • Examples illustrate successful applications in solving real-world problems.
  • Fully-relational versions of key databases have been created and utilized.

Conclusions:

  • Crystallographic databases are indispensable tools for materials identification.
  • The relational format enhances the usability and power of these databases.
  • Further development and application of relational crystallographic databases are warranted.