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- W1983203464 endingPage "954" @default.
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- W1983203464 abstract "The crystal structure of superconducting Na(2)CsC(60) was studied by high-resolution powder neutron diffraction between 1.6 and 425 K. Contrary to the literature, the structure at low temperatures is primitive cubic [See equation in the PDF file], isostructural with pristine C(60). Anticlockwise rotation of the C(60) units by 98 degrees about [111] allows simultaneous optimization of C(60)-C(60) and alkali-fulleride interactions. Optimal Na(+)-C(60)(3-) coordination is achieved with each sodium ion located above one hexagon face and three hexagon-hexagon fusions of neighboring fulleride ions (coordination number 12). Reduction of the C(60) molecule lengthens the hexagon-hexagon fusions and shortens the pentagon-hexagon fusions (to approximately 1.43 angstroms). On heating, Na(2)CsC(60) undergoes a phase transition to a face-centered-cubic [See equation in the PDF file] phase, best modeled as containing quasi-spherical C(60)(3-) ions. The modified structure and intermolecular potential provide an additional dimension to the behavior of superconducting fullerides and should sensitively affect their electronic and conducting properties." @default.
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- W1983203464 date "1994-02-18" @default.
- W1983203464 modified "2023-10-17" @default.
- W1983203464 title "Crystal Structure, Bonding, and Phase Transition of the Superconducting Na <sub>2</sub> CsC <sub>60</sub> Fulleride" @default.
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- W1983203464 doi "https://doi.org/10.1126/science.263.5149.950" @default.
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