Re-examination of the crystal structure of the β-pyrochlore oxide superconductor KOs2O6 by X-ray and convergent-beam electron diffraction analyses

Jun Ichi Yamaura, Zenji Hiroi, Kenji Tsuda, Koichi Izawa, Yasuo Ohishi, Satoshi Tsutsui

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

The crystal structure of the β-pyrochlore oxide superconductor KOs2O6 is re-examined. A single-crystal X-ray diffraction (XRD) analysis at room temperature first revealed that the compound crystallizes in a cubic structure with the centrosymmetric space group F d over(3, ̄) m, as in conventional pyrochlore oxides. Later, however, Schuck et al. claimed a different non-centrosymmetric F over(4, ̄) 3 m structure based on their single-crystal XRD analysis. To unambiguously determine the true crystal structure of KOs2O6, we carried out high-resolution synchrotron powder X-ray and convergent-beam electron diffraction measurements at room temperature. The space group was determined with high reliability to be centrosymmetric F d over(3, ̄) m, not F over(4, ̄) 3 m. This confirms the importance of the K atom location in a high-symmetry site, which causes unusually large rattling of the K atom.

Original languageEnglish
Pages (from-to)31-34
Number of pages4
JournalSolid State Communications
Volume149
Issue number1-2
DOIs
Publication statusPublished - 2009 Jan 1

Keywords

  • A. Pyrochlore oxides
  • C. Crystal structure
  • D. Superconductor

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Materials Chemistry

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