Lattice constants of alkali-metal-doped A3C60 fullerides with face-centered cubic crystal structure are reported for a wide range of lattice parameters, using Li, Na, K, Rb, Cs and their binary mixtures. It is shown that the size of the alkali-metal cations in the tetrahedral interstitial sites controls the lattice parameters. The observed lattice parameters are discussed in comparison with other body-centered cubic A6C60 and rock salt type A1C60 phases. The field repulsive interactions among the C60 molecules other than the electrostatic Madelung energy must be taken into account to understand the lattice parameters of A3C60 in the small lattice parameter region, different from standard alkali-halide ionic crystals.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry