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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.
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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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Coordination compounds and complexes exhibit different colors, geometries, and magnetic behavior, depending on the metal atom/ion and ligands from which they are composed. In an attempt to explain the bonding and structure of coordination complexes, Linus Pauling proposed the valence bond theory, or VBT, using the concepts of hybridization and the overlapping of the atomic orbitals. According to VBT, the central metal atom or ion (Lewis acid) hybridizes to provide empty orbitals of suitable...
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Ionic Bonding and Electron Transfer02:48

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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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In most main group element compounds, the valence electrons of the isolated atoms combine to form chemical bonds that satisfy the octet rule. For instance, the four valence electrons of carbon overlap with electrons from four hydrogen atoms to form CH4. The one valence electron leaves sodium and adds to the seven valence electrons of chlorine to form the ionic formula unit NaCl (Figure 1a). Transition metals do not normally bond in this fashion. They primarily form coordinate covalent bonds, a...
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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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Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Coupling Coordination Structures and Superionic Lithium Conduction in Amorphous Oxyhalide Solid-State Electrolytes.

Zhihao Lei1, Likun Chen1, Chenjie Lou1

  • 1Shenzhen All-Solid-State Lithium Battery Electrolyte Engineering Research Center, Institute of Materials Research (IMR), Tsinghua Shenzhen International Graduate School, Tsinghua University, Shenzhen 518055, China.

Journal of the American Chemical Society
|November 15, 2025
PubMed
Summary
This summary is machine-generated.

Amorphous oxyhalide solid-state electrolytes (SSEs) show promise for all-solid-state batteries (ASSBs). Optimizing lithium salt concentration in tantalum-based SSEs reveals a "volcano-type" conductivity relationship, enhancing ion transport.

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Solid-State Chemistry

Background:

  • Amorphous oxyhalide solid-state electrolytes (SSEs) are crucial for developing high-performance all-solid-state batteries (ASSBs).
  • The atomic-scale structure-property relationships and ion conduction mechanisms in these SSEs are not well understood.
  • Understanding these factors is key to optimizing ionic conductivity and battery performance.

Purpose of the Study:

  • To elucidate the relationship between inorganic lithium salt concentration and ionic conductivity in tantalum-based amorphous oxyhalide SSEs.
  • To reveal the underlying atomic-scale structural features and ion conduction mechanisms.
  • To optimize SSE composition for enhanced ionic conductivity and ASSB performance.

Main Methods:

  • Synthesis of tantalum-based amorphous oxyhalide SSEs with varying Li2O concentrations (TaCl5-xLi2O).
  • Ionic conductivity measurements at 25 °C.
  • Advanced structural analysis to probe local coordination environments and framework structure.
  • Electrochemical testing of ASSBs incorporating the optimized SSE.

Main Results:

  • A 'volcano-type' relationship was identified between ionic conductivity and Li2O concentration, influenced by Li-ion concentration, dual-anion framework, and LiCl precipitation.
  • Optimized TaCl5-0.5Li2O achieved a high ionic conductivity of 7.27 × 10^-3 S cm^-1.
  • Disordered lithium coordination environments and weak framework interactions facilitate low migration barriers and a 3D ion migration network.
  • ASSBs utilizing TaCl5-0.5Li2O demonstrated good rate capability and stable cycling over 600 cycles.

Conclusions:

  • The study establishes a clear correlation between SSE composition, atomic structure, and ionic conductivity.
  • Optimized amorphous oxyhalide SSEs offer a promising pathway for high-performance ASSBs.
  • Fundamental insights into ion conduction mechanisms in amorphous SSEs were provided.