Crystal structure of the pyrochlore oxide superconductor KOs 2O6

Jun Ichi Yamaura, Shigeki Yonezawa, Yuji Muraoka, Zenji Hiroi

Research output: Contribution to journalArticle

86 Citations (Scopus)

Abstract

We report the single-crystal X-ray analysis of the structure of the pyrochlore oxide superconductor KOs2O6. The structure was identified as the β-pyrochlore structure with space group Fd3̄m and lattice constant a=10.089(2)Å at 300K: the K atom is located at the 8b site, not at the 16d site as in conventional pyrochlore oxides. We found an anomalously large atomic displacement parameter Uiso=0.0735(8)Å2 at 300K for the K cation, which suggests that the K cation weakly bound to an oversized Os12O18 cage exhibits intensive rattling, as recently observed for clathrate compounds. The rattling of A cations is a common feature in the series of β-pyrochlore oxide superconductors AOs2O 6 (A=Cs, Rb and K), and is greatest for the smallest K cation.

Original languageEnglish
Pages (from-to)336-340
Number of pages5
JournalJournal of Solid State Chemistry
Volume179
Issue number1
DOIs
Publication statusPublished - Jan 2006
Externally publishedYes

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Oxide superconductors
Cations
Crystal structure
Positive ions
cations
crystal structure
oxides
clathrates
X ray analysis
Oxides
Lattice constants
Single crystals
Atoms
pyrochlore
single crystals
atoms
x rays

Keywords

  • Crystal structure
  • Pyrochlore oxides
  • Rattling
  • Superconductor

ASJC Scopus subject areas

  • Inorganic Chemistry
  • Physical and Theoretical Chemistry
  • Materials Chemistry

Cite this

Crystal structure of the pyrochlore oxide superconductor KOs 2O6 . / Yamaura, Jun Ichi; Yonezawa, Shigeki; Muraoka, Yuji; Hiroi, Zenji.

In: Journal of Solid State Chemistry, Vol. 179, No. 1, 01.2006, p. 336-340.

Research output: Contribution to journalArticle

Yamaura, Jun Ichi ; Yonezawa, Shigeki ; Muraoka, Yuji ; Hiroi, Zenji. / Crystal structure of the pyrochlore oxide superconductor KOs 2O6 In: Journal of Solid State Chemistry. 2006 ; Vol. 179, No. 1. pp. 336-340.
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