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Related Experiment Videos

Distorted bcc indium cubes as structural motifs in Ca

Hoffmann1, Pottgen

  • 1Anorganisch-Chemisches Institut, Universitat Munster, Germany.

Chemistry (Weinheim an Der Bergstrasse, Germany)
|May 12, 2000
PubMed
Summary

New calcium palladium, rhodium, and iridium indium compounds were synthesized. These materials exhibit unique crystal structures with polyanionic frameworks and distinct bonding characteristics, offering insights into intermetallic compound design.

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Area of Science:

  • Solid State Chemistry
  • Materials Science
  • Crystallography

Background:

  • Intermetallic compounds containing indium are of interest due to their unique structural and electronic properties.
  • Understanding the structure-property relationships in these materials is crucial for developing new functional materials.

Purpose of the Study:

  • To synthesize and characterize novel calcium-based intermetallic compounds with palladium, rhodium, and iridium.
  • To elucidate the crystal structures and bonding features of the synthesized compounds.
  • To compare the structural motifs with related indium-rich compounds.

Main Methods:

  • Synthesis of title compounds from elemental precursors under inert atmosphere using a high-frequency furnace.
  • Single-crystal X-ray diffraction for crystal structure determination (CaPdIn4, CaRhIn4, CaIrIn4).

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  • Semi-empirical band structure calculations to investigate electronic interactions.

    • Main Results:

    • CaPdIn4 crystallizes in the YNiAl4-type structure (Cmcm) with a [PdIn4] polyanion.
    • CaRhIn4 and CaIrIn4 adopt the LaCoAl4-type structure (Pmma) with [RhIn4] and [IrIn4] polyanions, respectively.
    • Band structure calculations reveal strong In-In, Rh-In, Pd-In bonding and weaker Ca-metal interactions.

    Conclusions:

    • The synthesized compounds exhibit complex polyanionic structures, highlighting the diversity of intermetallic phases.
    • The structural motifs, particularly the indium-rich polyanions, are related to other known indium-based intermetallics.
    • The electronic structure suggests significant metal-indium bonding, influencing the overall stability and properties.