Crystal structure and bonding of ordered C60

  title={Crystal structure and bonding of ordered C60},
  author={W. David and R. Ibberson and J. C. Matthewman and K. Prassides and T. Dennis and J. P. Hare and H. Kroto and R. Taylor and D. Walton},
STRUCTURAL studies1–.3 of crystalline C60 (ref. 4) have indicated that at room temperature the C60 molecules are orientationally disordered and the crystal structure may be regarded as a face-centred cubic configuration of C60 spheres. Below 249 K, however, the molecules become orientationally ordered3 and a simple cubic lattice results, corresponding to a symmetry change from Fm3¯ to Pa3¯. Here we present the results of a neutron powder diffraction study of the low-temperature ordered… Expand
Preparation and crystal structure of C60S16
A new fullerene-containing van der Waals-compound, C60S16, has been synthesized and its crystal structure determined from single-crystal X-ray diffraction data collected at room temperature. TheExpand
The structure of the C70 molecule
ALTHOUGH there have been experimental studies of the structure of the C60 molecule in the gas phase1 and the solid state at low temperature2, so far only indirect experimental details of theExpand
High-resolution studies of C60 films by scanning tunnelling microscopy
  • A. Narlikar, S. Samanta, P. Dutta
  • Materials Science
  • Philosophical Transactions of the Royal Society of London. Series A: Physical and Engineering Sciences
  • 1994
Scanning tunnelling microscopic studies of C60 films containing conducting islands, under ambient conditions, have revealed the characteristic FCC lattice of the C60 clusters with intermolecularExpand
Orientational Disorder and Order in C60—Fullerite and in MC60—Alkali Metal Fullerides
We start with a review of the formalism of symmetry adapted functions (SAF) for the description of orientation dependent properties of solids. For nonlinear molecules SAF’s are rotator functionsExpand
Crystal structure and electronic transport of Dy@C82
The crystal structure of Dy@C 8 2 isomer I at 298 K has been determined by Rietveld refinement for x-ray powder diffraction with synchrotron radiation. Isomer I shows a simple cubic structure (sc:Expand
Crystal Structure, Bonding, and Phase Transition of the Superconducting Na2CsC60 Fulleride
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. Expand
Mutual orientation of two C60 molecules: an ab initio study.
The orientational dependence of the interaction between two C(60) molecules is investigated using ab initio calculations. The binding energy, computed within density functional theory in the localExpand
Crystal field and molecular structure in solid C60
The crystal field in the orientationally disordered phase of C90-fullerite is derived from an intermolecular potential model, which takes into account the geometric difference between double bondsExpand
Simple Models of Intermolecular Potential for the Condensed Phases of C60
C60 is the most spherical of the family of fullerenes, and certainly the most studied since Kratschner et al. reported that it can be easily prepared in macroscopic quantities.1 The point groupExpand
Abstract Single crystal of pure C70 are grown from the vapour phase and the structure and morphology of these crystals is studied. By means of X-ray diffraction and TEM measurements five differentExpand


Prediction of fullerene packing in C60 and C70 crystals
RECENT breakthroughs1,2 in synthesizing large amounts of C60, C70 and other fullerenes3 have made possible studies of the struc-tures and properties of fullerene crystals. Using a force fieldExpand
Preparation and UV / visible spectra of fullerenes C60 and C70
We have studied electronic states of various fragments of $C_{60}$ within the Pariser-Parr-Pople (PPP) model and have obtained structural, magnetic and spectral properties of these molecules. TheExpand
C60: Buckminsterfullerene
During experiments aimed at understanding the mechanisms by which long-chain carbon molecules are formed in interstellar space and circumstellar shells1, graphite has been vaporized by laserExpand
Crystal Structure of Osmylated C60: Confirmation of the Soccer Ball Framework
The crystal structure of this derivative, C60(OsO4)(4-tert-butylpyridine)2, reveals atomic positions within the carbon cluster. Expand
Compressibility of Solid C60
Room-temperature powder x-ray diffraction profiles have been obtained at hydrostatic pressures P = 0 and 1.2 gigapascals on the solid phase of cubic C60 ("fullerite") and the linear compressibility is the same as the interlayer compressibility of hexagonal graphite, consistent with van der Waals intermolecular bonding. Expand
The Chemical Nature of Buckminsterfullerene (C60) and the Characterization of a Platinum Derivative
3. R. T. Knapp, J. W. Daily, F. G. Hammitt, in Cavitation (McGraw-Hill, New York, 1970), chap. 8; J. H. J. Van der Meulen and Y. Nakashima, in Cavitation, S. P. Hutton, Ed. (Mechanical EngineeringExpand
Antisymmetric two-dimensional NMR spectra
Abstract While the majority of two-dimensional (2D) NMR experiments correlating single-quantum coherences produce spectra symmetric with respect to reflection about the main diagonal, we propose aExpand
Orientational ordering transition in solid C60.