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Related Concept Videos

Valence Bond Theory02:42

Valence Bond Theory

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...
Ladder Diagrams: Complexation Equilibria01:07

Ladder Diagrams: Complexation Equilibria

Ladder diagrams are useful for evaluating equilibria involving metal-ligand complexes. The vertical scale of the ladder diagram represents the concentration of unreacted or free ligand, pL. The horizontal lines on the scale depict the log of stepwise formation constants for metal-ligand complexes and indicate the dominant species in all the regions.
The formation constant, K1, for the formation of Cd(NH3)2+ complex from cadmium and ammonia is 3.55 × 102. Log K1 (i.e. pNH3) is 2.55, and...
Lattice Energies of Ionic Crystals01:27

Lattice Energies of Ionic Crystals

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...
Metallic Solids02:37

Metallic Solids

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. Many...
Ionic Crystal Structures02:42

Ionic Crystal Structures

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...
Crystal Field Theory - Octahedral Complexes02:58

Crystal Field Theory - Octahedral Complexes

Crystal Field Theory
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...

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Updated: Jun 25, 2026

Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
09:41

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Published on: May 29, 2018

High-pressure structural stability in pseudo spin ladder compound CaCu2O3: a computational and experimental study.

Aiswarya S M1,2, Somesh Chandra3, Balmukund Shukla4

  • 1UGC-DAE CSR Kalpakkam Centre, Kokilamedu, Tamil Nadu 603104, India.

Journal of Physics. Condensed Matter : an Institute of Physics Journal
|June 23, 2026
PubMed
Summary

High-pressure experiments on CaCu2O3 revealed anisotropic compression and anomalous stiffening, suggesting a second-order isosymmetric phase transition. This study enhances understanding of calcium cuprate structural behavior under pressure.

Keywords:
anisotropic compressibilityantisite defectshigh pressure XRDlattice stiffeningsecond order isosymmetric phase transitionspin ladder compounds

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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions
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High-Sensitivity Nuclear Magnetic Resonance at Giga-Pascal Pressures: A New Tool for Probing Electronic and Chemical Properties of Condensed Matter under Extreme Conditions

Published on: October 10, 2014

Area of Science:

  • Materials Science
  • Solid-State Physics
  • Crystallography

Background:

  • Calcium cuprates are technologically relevant materials.
  • Understanding their structural response to pressure is crucial for applications.

Purpose of the Study:

  • Investigate the structural behavior of CaCu2O3 under high pressure up to ~12 GPa.
  • Determine the elastic properties and identify any phase transitions.

Main Methods:

  • High-pressure synchrotron X-ray diffraction experiments.
  • First-principles density functional theory (DFT) calculations.
  • Rietveld refinement for structural analysis.

Main Results:

  • Observed weakly off-stoichiometric composition with antisite Ca-Cu defects.
  • Detected strong anisotropic elastic compression, primarily along the c-axis.
  • Identified anomalous stiffening beyond 3-5 GPa, with a bulk modulus increasing from ~54 GPa to ~103 GPa.
  • Observed microstructural rearrangement and changes in bond evolution.

Conclusions:

  • The structural and microstructural changes indicate a second-order isosymmetric phase transition.
  • Experimental and DFT results for the bulk modulus are in good agreement.
  • The findings provide insights into the complex behavior of CaCu2O3 under pressure.