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Related Concept Videos

X-ray Crystallography02:18

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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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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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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 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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The structure of a crystalline solid, whether a metal or not, is best described by considering its simplest repeating unit, which is referred to as its unit cell. The unit cell consists of lattice points that represent the locations of atoms or ions. The entire structure then consists of this unit cell repeating in three dimensions. The three different types of unit cells present in the cubic lattice are illustrated in Figure 1.
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Synchrotron X-ray Microdiffraction and Fluorescence Imaging of Mineral and Rock Samples
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New methods for indexing multi-lattice diffraction data.

Richard J Gildea1, David G Waterman2, James M Parkhurst1

  • 1Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.

Acta Crystallographica. Section D, Biological Crystallography
|October 8, 2014
PubMed
Summary
This summary is machine-generated.

This study introduces a novel indexing method for analyzing multiple crystal lattices from limited diffraction data. The technique efficiently processes data, enabling the indexing and integration of up to six lattices from small crystal samples.

Keywords:
indexingmulti-lattice data

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Area of Science:

  • Crystallography
  • Materials Science
  • Data Analysis

Background:

  • Indexing multiple crystal lattices from limited diffraction data presents significant challenges.
  • Existing Fourier transform-based methods require extensive data, limiting their application to small or complex samples.

Purpose of the Study:

  • To develop and validate a new indexing method for efficiently processing multiple crystal lattices from narrow wedges of diffraction data.
  • To demonstrate the method's capability in handling both synthetic and real experimental data from micro-sized crystals.

Main Methods:

  • A simplified Fourier transform-based approach is utilized, leveraging known unit-cell dimensions.
  • The method is tested on semi-synthetic and real multi-lattice diffraction data from microcrystals.
  • Analysis focuses on identifying and rejecting overlapping reflections to improve data quality.

Main Results:

  • The new method successfully indexes and integrates up to six distinct crystal lattices from a single 1° wedge of diffraction data.
  • Demonstrated efficacy on both synthetic and real experimental data from microcrystals (∼1 µm).
  • Accurate identification and rejection of overlapping reflections lead to improved data-quality indicators.

Conclusions:

  • The presented indexing method offers a robust solution for analyzing complex multi-lattice samples with limited diffraction data.
  • This advancement facilitates more accurate structural analysis of microcrystalline materials.
  • Improved data processing through this method enhances the reliability of crystallographic studies.