KSbF6 revisited .2. An infrared study of the I-II phase transition

Heyns, Anton M. and Prinsloo, Linda C. and Range, Klaus-Jürgen (1996) KSbF6 revisited .2. An infrared study of the I-II phase transition. VIBRATIONAL SPECTROSCOPY, 11 (2). pp. 151-157. ISSN 0924-2031

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Abstract

The I-II phase transition occurring in KSbF6 at 302 K has been investigated by means of infrared spectroscopy. The majority of translational and rotational modes observed below 150 cm(-1) could be assigned in both phases. The phase transition is of the first-order, and a librational mode, representing rotations of the anions around the C-3-axis in the cubic phase II, shows soft-mode behaviour when the transition temperature is approached from lower temperatures. A discrete symmetry is broken when the low-temperature cubic phase II is transformed into the tetragonal phase I at 302 K. A comparison of the calculated and observed values of the II-I transition entropy in KSbF6 shows that although they are of the same order of magnitude, the reorientational motions of the anions are probably more complex than those represented by 4-fold reorientations around the S-4-axis of the space group <P(4)over bar>2m in phase I, and 3-fold reorientations around the C-3-axis of the space group I2,3 in phase II.

Item Type: Article
Uncontrolled Keywords: RAMAN; SCATTERING; infrared spectrometry; KSbF6; phase transition
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie > Alumni or Retired Professors > Prof. Dr. Klaus-Jürgen Range
Depositing User: Dr. Gernot Deinzer
Date Deposited: 06 Jul 2023 09:39
Last Modified: 06 Jul 2023 09:39
URI: https://pred.uni-regensburg.de/id/eprint/51757

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