日本結晶学会誌
Online ISSN : 1884-5576
Print ISSN : 0369-4585
ISSN-L : 0369-4585
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Co系超伝導酸化物の結晶構造と短範囲規則積層
小野田 みつ子高田 和典佐々木 高義
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2011 年 53 巻 6 号 p. 409-415

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Neutron powder diffraction patterns of 2H- and 3R-NaxCoO2·yD2O (x~0.35, y~1.3), which show superconductivity with Tc of about 4.7 K, show conspicuous diffuse maxima presumed to originate from the Na/D2O part in addition to sharp reflections due to the CoO2 part. The structure is treated as an interpenetration of two layered structures, the CoO2 part (a1=b1=2.82 Å) and the Na/D2O part (a2=b2=3.26 Å). A model of the short-range-order stacking of the Na/D2O part is expressed and diffuse scattering intensities simulated using the matrix method satisfactorily explain the neutron diffraction patterns. Information about atomic coordinates was obtained based on superstructure expression with A=B=2a1=a2√3=5.64 Å including short-range order stacking.

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© 2011 日本結晶学会
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