Structure and phase transition of the 6,5-annulene isomer ofC61H2

Andrea N. Lommen, Paul A. Heiney, Gavin B. M. Vaughan, Peter W. Stephens, Dengfa Liu, Dayin Li, Allan L. Smith, Andrew R. McGhie, Robert M. Strongin, Laurent Brard, Amos B. Smith
1994 Physical Review B (Condensed Matter)  
We have used di8'erential scanning calorimetry and x-ray diRraction to study the crystalline phases of the 6, 5-annulene isomer of C6&H2. At 308 K the methylenated fullerenes are orientationally disordered in a face-centered cubic lattice with lattice parameter 14.19 6 0.02 A. Below T, = 290 K the symmetry is lowered to Pa3, a simple cubic structure. At 20 K the lattice parameter is 14.06+0.02 A, with substantial statistical disorder remaining. The transition temperature in CsqH2 is slightly
more » ... her than in C6OO and higher still than in C6o, but the three compounds exhibit orientationally ordering transitions between qualitatively similar phases.
doi:10.1103/physrevb.49.12572 pmid:10010160 fatcat:a6oqyatghncgzajabfmfvjcljm