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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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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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Geometrically frustrated interactions drive structural complexity in amorphous calcium carbonate.

Thomas C Nicholas1, Adam Edward Stones2, Adam Patel1

  • 1Inorganic Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford, UK.

Nature Chemistry
|September 25, 2023
PubMed
Summary

Researchers modeled amorphous calcium carbonate, revealing its complex structure and stability. The study found that interactions between calcium ions dictate its unique properties, explaining its role in marine biomineralization.

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Area of Science:

  • Geochemistry
  • Materials Science
  • Biomineralization

Background:

  • Amorphous calcium carbonate (ACC) is crucial for marine organism biomineralization.
  • Understanding ACC structure and metastability is a significant scientific challenge.

Purpose of the Study:

  • To generate high-quality atomistic models of ACC.
  • To determine the effective Ca⋯Ca interaction potential governing ACC structure.
  • To explain the metastability and structural complexity of ACC.

Main Methods:

  • Utilized state-of-the-art interatomic potentials for atomistic modeling of ACC.
  • Employed a recently developed inversion approach to extract effective Ca⋯Ca interaction potentials.
  • Analyzed interaction potentials for minima and their relation to carbonate ion bridging.

Main Results:

  • Developed accurate atomistic models of ACC to guide X-ray scattering data analysis.
  • Identified an effective Ca⋯Ca interaction potential with minima at two competing distances.
  • Revealed an unexpected connection between ACC and the Lennard-Jones-Gauss model from soft matter physics.
  • Found that ACC's structural complexity and stability are encoded in geometrically frustrated Ca2+ interactions.

Conclusions:

  • The study elucidates the structural underpinnings of ACC metastability.
  • Geometrically frustrated Ca2+ interactions are key to ACC's complex structure and resistance to crystallization.
  • Findings provide insights into biomineralization processes in marine organisms.