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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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Crystallographic Point Groups01:29

Crystallographic Point Groups

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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...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

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Tetrahedral Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
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Crystal Field Theory - Octahedral Complexes02:58

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Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
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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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Structural Studies of Macromolecules in Solution using Small Angle X-Ray Scattering
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Software package for structure analysis of quasicrystals.

Akiji Yamamoto1

  • 1National Institute for Materials Science, Namiki 1, Tsukuba, Ibaraki, 305-0044, Japan.

Science and Technology of Advanced Materials
|November 24, 2016
PubMed
Summary

A new software package simplifies quasicrystal structure analysis. It provides a better environment for determining complex quasicrystal structures using known data collection and indexing methods.

Keywords:
quasicrystalssoftwarestructure analysis

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Area of Science:

  • Materials Science
  • Crystallography

Background:

  • Quasicrystals possess unique atomic structures that are challenging to analyze.
  • Accurate structure determination is crucial for understanding quasicrystal properties.

Approach:

  • A recently released software package offers an improved environment for quasicrystal structure analysis.
  • The package requires knowledge of data collection, indexing methods, and structure analysis theory.

Key Points:

  • The study reviews the structure analysis method employed by the software.
  • It details techniques used within the package for analyzing quasicrystal structures.
  • Guidance is provided on handling key information within the program's input files.

Conclusions:

  • This software package enhances the process of determining quasicrystal structures.
  • It facilitates a more systematic approach to analyzing complex crystallographic data.