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Solid State Chemistry of Clathrate Phases: Crystal Structure, Chemical Bonding and Preparation Routes

  • Michael Baitinger
  • Bodo Böhme
  • Alim Ormeci
  • Yuri GrinEmail author
Chapter
Part of the Springer Series in Materials Science book series (SSMATERIALS, volume 199)

Abstract

Clathrates represent a family of inorganic materials called cage compounds. The key feature of their crystal structures is a three-dimensional (host) framework bearing large cavities (cages) with 20–28 vertices. These polyhedral cages bear—as a rule—guest species. Depending on the formal charge of the framework, clathrates are grouped in anionic, cationic and neutral. While the bonding in the framework is of (polar) covalent nature, the guest-host interaction can be ionic, covalent or even van-der Waals, depending on the chemical composition of the clathrates. The chemical composition and structural features of the cationic clathrates can be described by the enhanced Zintl concept, whereas the composition of the anionic clathrates deviates often from the Zintl counts, indicating additional atomic interactions in comparison with the ionic-covalent Zintl model. These interactions can be visualized and studied by applying modern quantum chemical approaches such as electron localizability.

Keywords

Spark Plasma Sinter Oxidation Number Germanium Atom Host Framework Framework Atom 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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© Springer Science+Business Media Dordrecht 2014

Authors and Affiliations

  • Michael Baitinger
    • 1
  • Bodo Böhme
    • 1
  • Alim Ormeci
    • 1
  • Yuri Grin
    • 1
    Email author
  1. 1.Max-Planck-Institut für Chemische Physik fester StoffeDresdenGermany

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