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The vibrational spectra and crystallographic properties of CsPF6

Authors
Journal
Journal of Solid State Chemistry
0022-4596
Publisher
Elsevier
Publication Date
Volume
39
Issue
1
Identifiers
DOI: 10.1016/0022-4596(81)90308-x

Abstract

Abstract Indications are that CsPF 6(I) at ambient conditions is cubic with a possible space group of Fm3 m-O 5 h . A slight distortion of the unit cell cannot, however, be ruled out. Assuming Fm3 m symmetry the Raman spectra of CsPF 6(I) are consistent with a disordered model in which the PF − 6 ions are tilted away from the crystallographic axes. The phase transition which occurs below 90 K in CsPF 6 is reflected in the vibrational spectra and further significant changes occur below 60 K particularly in the Raman bands. It is not yet clear whether these changes represent the establishment of long-range order or whether a further phase of CsPF 6 exists below 60 K. A possible structure for CsPF 6 at very low temperatures is discussed.

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