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Related Concept Videos

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
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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.
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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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Structures of Solids

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Solids in which the atoms, ions, or molecules are arranged in a definite repeating pattern are known as crystalline solids. Metals and ionic compounds typically form ordered, crystalline solids. A crystalline solid has a precise melting temperature because each atom or molecule of the same type is held in place with the same forces or energy. Amorphous solids or non-crystalline solids (or, sometimes, glasses) which lack an ordered internal structure and are randomly arranged. Substances that...
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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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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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Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials
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A patchy-particle three-dimensional octagonal quasicrystal.

Akie Kowaguchi1,2, Savan Mehta1, Jonathan P K Doye1

  • 1Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, South Parks Road, Oxford OX1 3QZ, United Kingdom.

The Journal of Chemical Physics
|December 30, 2025
PubMed
Summary
This summary is machine-generated.

Researchers designed a 3D octagonal quasicrystal using patchy particles. Simulations show a one-component system of five-patch particles self-assembles into this complex structure, simplifying its fabrication.

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Area of Science:

  • Materials Science
  • Crystallography
  • Self-Assembly

Background:

  • Quasicrystals exhibit unique atomic arrangements not found in traditional crystals.
  • The Ammann-Beenker tiling is a 2D quasiperiodic pattern.
  • Patchy particles offer programmable interactions for targeted self-assembly.

Purpose of the Study:

  • To design a 3D octagonal quasicrystal structure.
  • To investigate its self-assembly using patchy particles.
  • To explore potential fabrication methods.

Main Methods:

  • Computational simulations of particle interactions.
  • Analysis of local atomic environments.
  • Design of binary and one-component patchy particle systems.

Main Results:

  • A 3D octagonal quasicrystal was successfully designed and simulated.
  • A one-component system of five-patch particles self-assembled into the target structure.
  • The simulated structure showed a narrower coordination-number distribution than the ideal model.

Conclusions:

  • Self-assembly of complex quasicrystalline structures is achievable with specifically designed patchy particles.
  • A single type of particle (five-patch) is sufficient for forming the 3D octagonal quasicrystal.
  • Potential applications in DNA origami and protein design exist for these systems.