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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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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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Minerals are essential nutrients that the human body needs in small amounts to work properly. They play a vital role in many bodily functions, such as building strong bones and transmitting nerve impulses. Some minerals are needed for hormone production or to maintain a normal heartbeat. Major minerals include calcium, phosphorus, potassium, sulfur, sodium, chlorine, and magnesium, while trace minerals include iron, manganese, copper, iodine, zinc, cobalt, fluoride, and selenium.
 
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Crystal Field Theory
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Atoms and molecules interact with each other through intermolecular forces. These electrostatic forces arise from attractive or repulsive interactions between particles with permanent, partial, or temporary charges. The intermolecular forces between neutral atoms and molecules are ion–dipole, dipole–dipole, and dispersion forces, collectively known as van der Waals forces.
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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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Shale-hosted vanadium occupation in typical silicate mineral structures.

Hu Fang-Yao1,2,3,4, Xue Nan-Nan1,2,3,4, Zhang Yi-Min1,2,3,4

  • 1School of Resources and Environmental Engineering, Wuhan University of Science and Technology Wuhan 430081 Hubei Province China zym126135@126.com.

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This study reveals vanadium atoms are most likely within silicate mineral octahedra in shale. Understanding this atomic structure is key to improving vanadium extraction from this critical rare metal resource.

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Area of Science:

  • Materials Science
  • Geochemistry
  • Computational Chemistry

Background:

  • Vanadium is a critical rare metal with increasing demand and market price.
  • Shale-hosted vanadium extraction is strategically and economically important but faces challenges due to complex mineralogy and vanadium distribution.
  • Current detection technologies struggle to pinpoint vanadium's precise location and structural influence in shale.

Purpose of the Study:

  • To determine the most probable atomic-scale occupancy of vanadium within shale mineral structures.
  • To elucidate the impact of structural properties on vanadium release during leaching.
  • To provide a foundation for optimizing vanadium extraction from shale.

Main Methods:

  • Utilized the first-principles-based density-functional theory (DFT) approach.
  • Analyzed energetic and structural perspectives of vanadium's integration into mineral lattices.
  • Modeled atomic-scale interactions within shale mineral compositions.

Main Results:

  • Vanadium is energetically and structurally favored to occupy octahedra within silicate minerals.
  • Specifically identified Mg-O octahedra as a likely site for vanadium incorporation.
  • Provided atomic-level insights into vanadium's occurrence in shale.

Conclusions:

  • Accurately determined vanadium atom occupancy in shale at an atomic scale.
  • Clarified the fundamental nature of vanadium ore in shale formations.
  • Identified specific mineral structural targets for enhancing vanadium leaching efficiency.