Structural and vibrational study of VF3

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Abstract

The room temperature crystal structure of VF3 is reinvestigated: space group R3̄c (D63d, no 167), a = 5.168(2)Å, c = 13.438(5)Å (hexagonal cell) with R = 0.0264 (Rw = 0.0265). The cubic-rhombohedral phase transition is studied by DSC (Tc ≈ 500°C) and an hysteresis close to 8°C is observed, showing that the transition is really first order. A Raman scattering study is performed and all the lines have been assigned from a group theory analysis. Moreover it is shown, by a Raman temperature study, that the transition can be imputed to the softening of the R5 mode of the cubic Brillouin zone.

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