Structural investigations of ACu3Ru4O12 (A=Na, Ca, Sr, La, Nd) - A comparison between XRD-Rietveld and EXAFS results

S. G. Ebbinghaus, A. Weidenkaff, R. J. Cava

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The structures of five perovskite-related oxides with the general composition ACu3Ru4O12 with A = Na, Ca, Sr, La and Nd, have been examined both by XRD-Rietveld refinements and Ru-K EXAFS-spectroscopy. In addition, the behavior on reduction was investigated by thermogravimetry (TG). The TG measurements revealed that the composition was almost exactly A1Cu3Ru4O12 for all samples. The inter-atomic distances derived from EXAFS- and XRD-Rietveld fits show an excellent agreement with differences smaller than 8 mÅ even for R > 5 Å. All inter-atomic distances increase in the order Na<Ca< Sr<Nd<La and were found to depend linearly on the product of charge and ionic radius of the A-cation. The experimentally found distances are compared with the corresponding values expected from bond-valence calculations.

Original languageEnglish (US)
Pages (from-to)126-136
Number of pages11
JournalJournal of Solid State Chemistry
Issue number1
StatePublished - Aug 2002

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


  • Cuprates
  • Perovskites
  • Rietveld structure refinements
  • Ruthenates


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