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Title: Crystal structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}

Abstract

We report the single-crystal X-ray analysis of the structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}. The structure was identified as the {beta}-pyrochlore structure with space group Fd3-bar m and lattice constant a=10.089(2)A 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 U{sub iso}=0.0735(8)A{sup 2} at 300K for the K cation, which suggests that the K cation weakly bound to an oversized Os{sub 12}O{sub 18} cage exhibits intensive rattling, as recently observed for clathrate compounds. The rattling of A cations is a common feature in the series of {beta}-pyrochlore oxide superconductors AOs{sub 2}O{sub 6} (A=Cs, Rb and K), and is greatest for the smallest K cation.

Authors:
 [1];  [2];  [2];  [2]
  1. Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan). E-mail: jyamaura@issp.u-tokyo.ac.jp
  2. Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan)
Publication Date:
OSTI Identifier:
20784867
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 179; Journal Issue: 1; Other Information: DOI: 10.1016/j.jssc.2005.10.039; PII: S0022-4596(05)00503-7; Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ATOMIC DISPLACEMENTS; CATIONS; CLATHRATES; CUBIC LATTICES; LATTICE PARAMETERS; MONOCRYSTALS; OSMIUM COMPOUNDS; OXIDES; POTASSIUM COMPOUNDS; PYROCHLORE; SPACE GROUPS; SUPERCONDUCTORS; TEMPERATURE RANGE 0273-0400 K

Citation Formats

Yamaura, Jun-Ichi, Yonezawa, Shigeki, Muraoka, Yuji, and Hiroi, Zenji. Crystal structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}. United States: N. p., 2006. Web. doi:10.1016/j.jssc.2005.10.039.
Yamaura, Jun-Ichi, Yonezawa, Shigeki, Muraoka, Yuji, & Hiroi, Zenji. Crystal structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}. United States. doi:10.1016/j.jssc.2005.10.039.
Yamaura, Jun-Ichi, Yonezawa, Shigeki, Muraoka, Yuji, and Hiroi, Zenji. Sun . "Crystal structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}". United States. doi:10.1016/j.jssc.2005.10.039.
@article{osti_20784867,
title = {Crystal structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}},
author = {Yamaura, Jun-Ichi and Yonezawa, Shigeki and Muraoka, Yuji and Hiroi, Zenji},
abstractNote = {We report the single-crystal X-ray analysis of the structure of the pyrochlore oxide superconductor KOs{sub 2}O{sub 6}. The structure was identified as the {beta}-pyrochlore structure with space group Fd3-bar m and lattice constant a=10.089(2)A 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 U{sub iso}=0.0735(8)A{sup 2} at 300K for the K cation, which suggests that the K cation weakly bound to an oversized Os{sub 12}O{sub 18} cage exhibits intensive rattling, as recently observed for clathrate compounds. The rattling of A cations is a common feature in the series of {beta}-pyrochlore oxide superconductors AOs{sub 2}O{sub 6} (A=Cs, Rb and K), and is greatest for the smallest K cation.},
doi = {10.1016/j.jssc.2005.10.039},
journal = {Journal of Solid State Chemistry},
number = 1,
volume = 179,
place = {United States},
year = {Sun Jan 15 00:00:00 EST 2006},
month = {Sun Jan 15 00:00:00 EST 2006}
}