Abstract:
The infrared absorption spectra of the oxyfluoride Rb$_2$KMoO$_3$F$_3$ have been measured in the frequency range corresponding to stretching vibrations of the Mo–O anion octahedron with the purpose of clarifying their role in the phase transition. A semi-empirical calculation of two possible configurations of quasioctahedral MoO$_3$F$_3$ groups has been performed. The results of the investigations have demonstrated that some octahedra in the crystal structure change the local symmetry from $C_{3v}$ to $C_{2v}$ due to the phase transition ($T$ = 197 K).