IV-R-4 Rietveld Analysis of the Superconducting Na_xH_yC₆₀

Chikako NAKANO, Kenichi IMAEDA, Jonas KRÖBER and Hiroo INOKUCHI

[Chem. Lett. 343 (1997)]

The room temperature structure of a superconducting phase of Na_xH_yC₆₀ was determined from the analysis of its powder X-ray diffraction pattern by the Rietveld method. The space group is Fm 3m, with Z=4, and the refined cell parameter a is 14.406(1) Å. Na⁺ ions in the octahedral and tetrahedral sites are off-centered. From their occupancies, the composition x is estimated at 3.6.

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