Low-temperature structure of solid C70
โ Scribed by Sander van Smaalen; Vaclav Petricek; Jan L. de Boer; Michal Dusek; Marcel A. Verheijen; Gerard Meijer
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 484 KB
- Volume
- 223
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Energetically optimized structure of Cg has been obtained by means of the semi-empirical (MIND0/3) MO calculation. A C, molecule has the same symmetry (DSh) as CT0 but with a slightly deformed geometry. The charge and the spin distribution shows a definite difference from that of C,g,. Such feature
Harmonic lattice dynamics calculations have been performed on the low temperature structure of solid CT,,. The theoretically obtained lattice structure agrees with the experimentally determined low temperature structure and the symmetry is found to be P2,/m. The orientationally ordered equilibrium i