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Related Concept Videos

Ionic Bonding and Electron Transfer02:48

Ionic Bonding and Electron Transfer

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Ions are atoms or molecules bearing an electrical charge. A cation (a positive ion) forms when a neutral atom loses one or more electrons from its valence shell, and an anion (a negative ion) forms when a neutral atom gains one or more electrons in its valence shell. Compounds composed of ions are called ionic compounds (or salts), and their constituent ions are held together by ionic bonds: electrostatic forces of attraction between oppositely charged cations and anions. 
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Ionic Crystal Structures02:42

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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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Lattice Energy 
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Molecular and Ionic Solids02:54

Molecular and Ionic Solids

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Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
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Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
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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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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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Updated: Nov 1, 2025

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Kinetically Stabilized Cation Arrangement in Li3 YCl6 Superionic Conductor during Solid-State Reaction.

Hiroaki Ito1, Kazuki Shitara2,3, Yongming Wang4

  • 1Graduate School of Chemical Science and Engineering, Hokkaido University, Kita 13, Nishi 8, Sapporo, Hokkaido, 060-8628, Japan.

Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|June 17, 2021
PubMed
Summary

Researchers discovered a new metastable superionic conductor, beta-Li3YCl6, using in situ X-ray diffraction. This material exhibits enhanced lithium-ion conductivity due to kinetic stabilization, paving the way for new metastable material discovery.

Keywords:
density functional theoryhalidesin situ XRDneutron diffractionsolid electrolytes

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Crystallography

Background:

  • Metastable materials are typically discovered through trial-and-error synthesis.
  • Understanding the kinetic stabilization mechanisms of metastable materials is limited.
  • Superionic conductors are crucial for energy storage applications.

Purpose of the Study:

  • To discover and characterize a novel metastable phase of Li3YCl6.
  • To elucidate the kinetic stabilization mechanisms of the discovered metastable phase.
  • To investigate the ionic conductivity properties of the metastable phase.

Main Methods:

  • In situ X-ray diffraction was used to synthesize and identify the metastable beta-Li3YCl6 phase.
  • Neutron diffraction was employed to determine the crystal structure of beta-Li3YCl6.
  • Computational methods were used to calculate ion migration barriers.

Main Results:

  • A novel metastable superionic conductor, beta-Li3YCl6, was synthesized below 600 K.
  • Beta-Li3YCl6 exhibits a hexagonal close-packed Cl- arrangement, similar to the stable alpha-Li3YCl6 phase.
  • Higher Li+ ion conductivity and lower activation energy were observed in beta-Li3YCl6 compared to alpha-Li3YCl6.
  • Computational studies revealed low Li+ and high Y3+ migration barriers, explaining the kinetic stabilization of beta-Li3YCl6.

Conclusions:

  • The combination of in situ diffraction and computational migration energy calculations facilitates the understanding and discovery of kinetically stabilized metastable materials.
  • The high Y3+ migration barrier in beta-Li3YCl6 is responsible for its kinetic stabilization.
  • This approach enables rapid discovery of new metastable materials with potential applications in energy storage.