Raman scattering investigation of ferroelastic Sb5O7I crystals

Sb5O7I undergoes a displacive phase transition at 481 K where the symmetry is changed fromC 6h 2 toC 2h 5 . In the low temperature monoclinic phase the crystal is ferroelastic. The polarized Raman spectra of Sb5O7I have been measured at various temperatures below and above the phase transition. The frequencies and symmetries of most of the theoretically expected Raman active phonons in the ferroelastic phase have been determined. The observation of a soft mode in the ferroelastic phase which disappears above the phase transition together with the fact that the unit cell of the ferroelastic phase is twice as large as that of the paraelastic structure permits the conclusion that the phase transition results from a phonon instability at the Brillouin zone boundaryM-point of the hexagonal phase. The temperature dependent splittings and intensity changes of several Raman lines are discussed with respect to the ferroelastic property of the crystal and the phase transition