‘C8 phase’: Supercubane, tetrahedral, BC‐8 or carbon sodalite?

@article{Pokropivny2012C8PS,
  title={‘C8 phase’: Supercubane, tetrahedral, BC‐8 or carbon sodalite?},
  author={A. V. Pokropivny and Sebastian Volz},
  journal={physica status solidi (b)},
  year={2012},
  volume={249}
}
With the use of ab initio density‐functional theory (DFT) and electron diffraction calculations, the crystal structures of a carbon ‘C8 phase’ are found. Total energies and electron diffraction patterns are calculated for all possible known to date candidates, namely supercubane, tetrahedral, BC‐8 and sodalite (SOD) structures as nearest neighbours in unit cell size. The results of calculation agree well with only one phase. The structure can be attributed to sp3‐hybridized carbon SOD zeolite… 

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