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Lattice Centering and Coordination Number02:33

Lattice Centering and Coordination Number

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.
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Imagine taking a large number of identical...
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Lattice energy represents the energy released when gaseous cations and anions combine to form an ionic solid, reflecting the strength of electrostatic interactions within the crystal. This process is fundamentally governed by Coulombic attraction between oppositely charged ions, where the potential energy varies inversely with the interionic distance and directly with the product of ionic charges. As ions approach one another, the electrostatic energy becomes increasingly negative, indicating a...
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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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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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Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
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Determining the Ice-binding Planes of Antifreeze Proteins by Fluorescence-based Ice Plane Affinity
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Lattice- and network-structure in plastic ice.

Kazuhiro Himoto1, Masakazu Matsumoto, Hideki Tanaka

  • 1Department of Chemistry, Faculty of Science, Okayama University, Okayama, Japan.

Physical Chemistry Chemical Physics : PCCP
|September 15, 2011
PubMed
Summary
This summary is machine-generated.

Researchers explored plastic ice structure and energy at high pressures. They found that high interaction energy causes molecular dislocation, allowing rotation and creating a unique network structure.

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Area of Science:

  • Materials Science
  • Physical Chemistry
  • Condensed Matter Physics

Background:

  • Plastic ice, a phase of water ice, exists at high pressures (e.g., 10 GPa) between solid ice VII and liquid water.
  • It exhibits suppressed diffusion but allowed molecular rotation, suggesting unique structural and energetic properties.

Purpose of the Study:

  • To investigate the structural and energetic characteristics of plastic ice.
  • To understand the local arrangement, lattice deviations, and hydrogen-bonding patterns.
  • To examine the roles of attractive and repulsive forces in the Lennard-Jones potential.

Main Methods:

  • Molecular dynamics simulations were employed to model plastic ice.
  • Free energy calculations were performed to analyze energetic properties.
  • Analysis focused on local molecular arrangements, deviations from ideal lattice positions, and hydrogen bond orientations.

Main Results:

  • Plastic ice exhibits higher interaction energy compared to ice VII, leading to significant dislocation of water molecules.
  • This molecular mobility facilitates facile rotation of water molecules within the structure.
  • A substantial number of hydrogen bonds deviate from ideal tetrahedral orientations, indicating orientational defects.

Conclusions:

  • Orientational defects in hydrogen bonds lead to the fusion of ice VII sublattices, forming a plastic phase.
  • This process results in a unique network structure distinct from defect-containing ice VII.
  • The findings elucidate the fundamental properties of plastic ice under high-pressure conditions.