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Related Concept Videos

Ionic Crystal Structures02:42

Ionic Crystal Structures

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Ionic crystals consist of two or more different kinds of ions that usually have different sizes. The packing of these ions into a crystal structure is more complex than the packing of metal atoms that are the same size.
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
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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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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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Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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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
Imagine taking a large number of identical...
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Crystal Field Theory - Tetrahedral and Square Planar Complexes02:46

Crystal Field Theory - Tetrahedral and Square Planar Complexes

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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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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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The decagonal AlCuRh quasicrystal modelled with five atomic surfaces - high-temperature X-ray diffraction data

Ireneusz Buganski1, Radoslaw Strzalka1, Janusz Wolny1

  • 1Faculty of Physics and Applied Computer Science, AGH University of Science and Technology, Al. Mickiewicza 30, Krakow, Malopolska 30-059, Poland.

Acta Crystallographica. Section A, Foundations and Advances
|September 1, 2022
PubMed
Summary

High-temperature X-ray diffraction reveals temperature-dependent structural changes in AlCuRh decagonal phase. A five-atomic-surface model better explains structural refinements and thermal lattice constant correlations.

Keywords:
X-ray diffractionhigh-temperature studiesphase transitionsphasonsquasicrystalsrandom tilings

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Area of Science:

  • Materials Science
  • Crystallography
  • Condensed Matter Physics

Background:

  • Decagonal quasicrystals, such as AlCuRh, exhibit complex atomic structures.
  • Understanding temperature-dependent structural evolution is crucial for materials applications.

Purpose of the Study:

  • To investigate the temperature-related structural changes in the decagonal phase of AlCuRh.
  • To refine atomic structure models and assess their agreement with experimental data.

Main Methods:

  • Utilizing five datasets of high-temperature X-ray diffraction data.
  • Performing atomic structure refinements using models with four and five atomic surfaces.

Main Results:

  • A fifth atomic surface emerged, potentially due to tiling transitions or phason disorder.
  • An 80% correlation was found between the fifth atomic surface occupancy and thermal lattice constant dependence.
  • The five-atomic-surface model provided a significantly better agreement with experimental data than the four-atomic-surface model.

Conclusions:

  • The five-atomic-surface model accurately captures the temperature-dependent structural behavior of AlCuRh.
  • Phason disorder or tiling transitions are likely responsible for the emergence of the fifth atomic surface.