First X-ray diffraction analysis of pressure polymerized C 60 single crystals

It is shown that C 60 single crystals can be polymerized under relatively modest pressure-temperature conditions. The resulting single crystals exhibit long-range order and they are made up of 12 orientation variants. The structure is orthorhombic with a short intermolecular distance along the chains (9.14 Å), characteristic of covalent bonding. We propose a structural mechanism for the polymerization of fullerene-based compounds; it involves a shift of one of the (111) cubic planes together with a shortening of the (111) spacing. The configuration of the polymer chains presents interesting relations with that found in the A 1 C 60 polymer compounds.