Coupled anion and cation ordering in Sr3RFe4O 10.5 (R=Y, Ho, Dy) anion-deficientperovskites

Artem M. Abakumov, Hans D'Hondt, Marta D. Rossell, Alexander A. Tsirlin, Olga Gutnikova, Dmitry S. Filimonov, Walter Schnelle, Helge Rosner, Joke Hadermann, Gustaaf Van Tendeloo, Evgeny V. Antipov

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10 Citations (Scopus)

Abstract

The Sr3RFe4O10.5 (R=Y, Ho, Dy) anion-deficient perovskites were prepared using a solid-state reaction in evacuated sealed silica tubes. Transmission electron microscopy and 57Fe Mssbauer spectroscopy evidenced a complete A-cations and oxygen vacancies ordering. The structure model was further refined by ab initio structure relaxation, based on density functional theory calculations. The compounds crystallize in a tetragonal a≈2√2ap≈11.3 Å, ≈4p≈16Å unit cell (ap: parameter of the perovskite subcell) with the P42/mnm space group. Oxygen vacancies reside in the (FeO5/43/4) layers, comprising corner-sharing FeO4 tetrahedra and FeO5 tetragonal pyramids, which are sandwiched between the layers of the FeO 6 octahedra. Smaller R atoms occupy the 9-fold coordinated position, whereas the 10-fold coordinated positions are occupied by larger Sr atoms. The Fe sublattice is ordered aniferromagnetically up to at least 500 K, while the rare-earth sublattice remains disordered down to 2 K.

Original languageEnglish
Pages (from-to)2845-2854
Number of pages10
JournalJournal of Solid State Chemistry
Volume183
Issue number12
DOIs
Publication statusPublished - Dec 2010
Externally publishedYes

Keywords

  • Anion ordering
  • Anion-deficient perovskite
  • Cation ordering
  • Crystal structure
  • Ferrite
  • Magnetic properties
  • Transmission electron microscopy

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