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Metallic Solids02:37

Metallic Solids

21.2K
Metallic solids such as crystals of copper, aluminum, and iron are formed by metal atoms. The structure of metallic crystals is often described as a uniform distribution of atomic nuclei within a “sea” of delocalized electrons. The atoms within such a metallic solid are held together by a unique force known as metallic bonding that gives rise to many useful and varied bulk properties.
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability....
21.2K
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

31.5K
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...
31.5K
Determination of Crystal Structures01:29

Determination of Crystal Structures

32
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...
32
Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

49.4K
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,...
49.4K
Crystallographic Point Groups01:29

Crystallographic Point Groups

33
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...
33
X-ray Crystallography02:18

X-ray Crystallography

26.6K
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...
26.6K

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Updated: Mar 12, 2026

Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography
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Microfluidic Chips for In Situ Crystal X-ray Diffraction and In Situ Dynamic Light Scattering for Serial Crystallography

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CRYSTMET-The NRCC Metals Crystallographic Data File.

Gordon H Wood1, John R Rodgers1, S Roger Gough1

  • 1Canadian Scientific Numeric Database Service, National Research Council Canada, Ottawa, Canada , K1A 0S2.

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

The CRYSTMET database offers critically evaluated crystallographic data for metals and related materials. This comprehensive resource aids in identifying unknowns and predicting material properties.

Keywords:
alloyscomputer-basedcritically evaluated datacrystallographic datadataintermetallicsmachine-readablemetalsmineralsnumeric datasearch systemstructural data

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Area of Science:

  • Crystallography
  • Materials Science
  • Computational Chemistry

Background:

  • Crystallographic data is crucial for understanding material properties.
  • Existing databases may lack comprehensive evaluation or accessibility.
  • Metals, alloys, intermetallics, and minerals represent a significant class of materials.

Purpose of the Study:

  • To introduce CRYSTMET, a computer-readable database of critically evaluated crystallographic data.
  • To highlight the database's scope, content, and quality control measures.
  • To present potential applications and accessibility of the CRYSTMET database.

Main Methods:

  • Compilation of crystallographic data from exhaustive literature search from 1913.
  • Scientific editing involving automated and manual checks for data accuracy and consistency.
  • Analysis of entry distribution and trends in compound complexity and elemental composition.

Main Results:

  • CRYSTMET contains approximately 60,000 entries of critically evaluated crystallographic data.
  • Data includes chemical, physical, and bibliographic information for metals, alloys, intermetallics, and minerals.
  • Analyses reveal trends in scientific literature regarding material complexity and elemental composition over time.

Conclusions:

  • CRYSTMET serves as a valuable, reliable resource for crystallographic data.
  • The database facilitates material identification and property prediction.
  • CRYSTMET is accessible online and through licensed copies, with ongoing system development for enhanced usability.