Neutron diffraction study of the polymeric structure of Na2RbC60

Alexandros Lappas, Craig M. Brown, Konstantinos Kordatos, Emmanuelle Suard, Katsumi Tanigaki, Kosmas Prassides

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12 Citations (Scopus)


High-resolution neutron powder diffraction is used to authenticate that the Na2RbC60 fulleride undergoes on cooling an incomplete structural phase transition from a primitive cubic to a monoclinic phase (space group P21/a, lattice constants at 2.5 K: a = 13.707(2) Å, b = 14.466(2) Å, c = 9.366(1) Å, β= 133.64(1)°). Very short interfullerene C-C contacts are identified, providing evidence for the presence of bridging bonds whose distances refine to ∼1.7 Å. The C-C bonds are inclined to the c axis by ∼7.7° and lie within the bc plane. The stability of the ground state polymeric structure and the kinetics of the monomer → polymer transformation are influenced by the charge state of the fulleride ions, the steric crowding associated with the dopant alkali ions and the relative orientational state adopted by neighbouring fullerides in the precursor monomer phase.

Original languageEnglish
Pages (from-to)371-381
Number of pages11
JournalJournal of Physics Condensed Matter
Issue number2
Publication statusPublished - 1999
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics


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