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Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

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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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Metallic Solids02:37

Metallic Solids

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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....
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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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Electron Configurations

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Electron configurations and orbital diagrams can be determined by applying the Aufbau principle (each added electron occupies the subshell of lowest energy available), Pauli exclusion principle (no two electrons can have the same set of four quantum numbers), and Hund’s rule of maximum multiplicity (whenever possible, electrons retain unpaired spins in degenerate orbitals).
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Lattice Centering and Coordination Number02:33

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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.
Types of Unit Cells
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Trends in Lattice Energy: Ion Size and Charge

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An ionic compound is stable because of the electrostatic attraction between its positive and negative ions. The lattice energy of a compound is a measure of the strength of this attraction. The lattice energy (ΔHlattice) of an ionic compound is defined as the energy required to separate one mole of the solid into its component gaseous ions. For the ionic solid sodium chloride, the lattice energy is the enthalpy change of the process:
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Updated: Aug 23, 2025

Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
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Data-driven electron-diffraction approach reveals local short-range ordering in CrCoNi with ordering effects.

Haw-Wen Hsiao1,2, Rui Feng3, Haoyang Ni1,2

  • 1Department of Materials Science and Engineering, University of Illinois Urbana-Champaign, 1304W Green St, Urbana, IL, 61801, USA.

Nature Communications
|November 5, 2022
PubMed
Summary
This summary is machine-generated.

Short-range ordering in CrCoNi alloys creates non-random chemical mixing, enhancing mechanical strength. This study reveals how specific ordering types (L1₂ and L1₁) influence alloy properties, offering new design strategies.

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Area of Science:

  • Materials Science
  • Metallurgy
  • Solid-State Physics

Background:

  • Medium/high-entropy alloys (MEAs/HEAs) exhibit exceptional mechanical strength, often attributed to solid solution hardening.
  • The precise mechanisms governing this strength, particularly the role of chemical ordering, remain incompletely understood.

Purpose of the Study:

  • To investigate non-random chemical mixing and short-range ordering (SRO) in a CrCoNi alloy.
  • To elucidate the relationship between SRO, chemical heterogeneity, and mechanical properties.

Main Methods:

  • Data-mining electron nanodiffraction.
  • Neutron scattering.
  • Atom probe tomography.
  • First-principles theory modeling and diffraction simulations.

Main Results:

  • Evidence of two distinct SRO types (L1₂ and L1₁) within nanoclusters in CrCoNi.
  • L1₁ ordering is dominant in homogenized samples; L1₂ is promoted by heat treatment.
  • L1₂ ordering correlates with significant changes in dislocation-slip behavior.

Conclusions:

  • SRO and resulting chemical heterogeneities are key factors in the mechanical strength of CrCoNi alloys.
  • Understanding and controlling SRO offers a pathway for designing advanced high-strength, ductile concentrated alloys.