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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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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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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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Color in Coordination Complexes
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Bulk and Thin Film Synthesis of Compositionally Variant Entropy-stabilized Oxides
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Low cation coordination in oxide melts.

L B Skinner1, C J Benmore2, J K R Weber3

  • 1Mineral Physics Institute, Stony Brook University, Stony Brook, New York 11794-2100, USA and X-ray Science Division, Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439, USA and Materials Development Inc., Arlington Heights, Illinois 60004, USA.

Physical Review Letters
|May 3, 2014
PubMed
Summary
This summary is machine-generated.

Rare earth oxide liquids exhibit lower cation-oxygen coordination than their crystalline forms. This coordination drop depends on cation properties, impacting melt and glass physical properties.

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Area of Science:

  • Materials Science
  • Condensed Matter Physics
  • Inorganic Chemistry

Background:

  • Understanding the local atomic structure of liquid oxides is crucial for predicting their physical properties.
  • Crystalline oxides often exhibit distinct coordination numbers compared to their liquid states.

Purpose of the Study:

  • To measure the partial pair distribution functions of rare earth oxide liquids.
  • To investigate the cation-oxygen coordination in various oxide melts and compare it to crystalline counterparts.
  • To identify trends in coordination changes based on cation properties.

Main Methods:

  • Utilized aerodynamic levitation combined with neutron and X-ray diffraction for Y2O3 and Ho2O3 melts at 2870 K.
  • Employed X-ray diffraction and molecular dynamics simulations for La2O3, ZrO2, and Al2O3 melts.

Main Results:

  • The average Y-O and Ho-O coordination in isomorphic melts was found to be 5.5(2), lower than the octahedral coordination in crystalline Y2O3 and Ho2O3.
  • La2O3, ZrO2, and Al2O3 melts also displayed lower cation-oxygen coordination compared to their crystalline structures.
  • A trend was observed where lower field strength, larger radius cations showed a greater coordination drop, while high field strength cations (e.g., in SiO2) showed negligible change.

Conclusions:

  • A general trend of decreased cation-oxygen coordination in oxide melts compared to their crystalline forms was established.
  • The extent of coordination reduction is influenced by cation characteristics, specifically field strength and ionic radius.
  • These findings provide insights into the local structure and physical properties of oxide melts and glasses, aiding in property prediction.