The combination of Al-27 NMR experiments and Molecular Dynamics simulation
confirms the existence of penta-coordinated Aluminium in several molten alu
minium oxides. In the case of fluoroaluminate molten salts, NMR and Raman s
pectroscopies provide complementary approaches leading to a structural desc
ription in term of AIF(4)(-), AIF(5)(2-) and AIF(6)(3-) species.