The structure and vibrational spectroscopy of cryolite, Na 3 AlF 6 .
Stewart F ParkerAnibal J Ramirez-CuestaLuke L DaemenPublished in: RSC advances (2020)
Cryolite, Na 3 [AlF 6 ], is essential to commercial aluminium production because alumina is readily soluble in molten cryolite. While the liquid state has been extensively investigated, the spectroscopy of the solid state has been largely ignored. In this paper, we show that the structure at 5 K is the same as that at room temperature. We use a combination of infrared and Raman spectroscopies together with inelastic neutron scattering (INS) spectroscopy. The use of INS enables access to all of the modes of Na 3 [AlF 6 ], including those that are forbidden to the optical spectroscopies. Our spectral assignments are supported by density functional theory calculations of the complete unit cell.
Keyphrases
- solid state
- density functional theory
- room temperature
- molecular dynamics
- high resolution
- ionic liquid
- single molecule
- single cell
- optical coherence tomography
- magnetic resonance imaging
- molecular dynamics simulations
- stem cells
- cell therapy
- magnetic resonance
- high speed
- atomic force microscopy
- mesenchymal stem cells