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

Journal Article · · Journal of Solid State Chemistry
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  1. Institute for Solid State Physics, University of Tokyo, Kashiwa, Chiba 277-8581 (Japan)

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.

OSTI ID:
20784867
Journal Information:
Journal of Solid State Chemistry, Vol. 179, 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); ISSN 0022-4596
Country of Publication:
United States
Language:
English