On the structure of liquid antimony pentafluoride

S. E. McLain, A. K. Soper, J. J. Molaison, C. J. Benmore, M. R. Dolgos, Jeffery Yarger, J. F C Turner

Research output: Contribution to journalArticlepeer-review

2 Scopus citations


The liquid structure of antimony pentafluoride at room temperature has been investigated using neutron and high-energy X-ray diffraction and subsequently modelled using Empirical Potential structure refinement. The neutron diffraction measurements show that each antimony centre is surrounded by 6 fluorine atoms; four at a non-bridging distance of 1.86 ± 0.03 Å and two bridging fluorines at a distance of 2.03 ± 0.06 Å. The X-ray data show an additional peak at 3.93 ± 0.03 Å attributed to antimony-antimony contacts. The diffraction data were fit to three models; cis-monomer, isolated tetramer and cis-linked chains. The X-ray data rule out the cis-monomer model but good fits are obtained for the isolated tetramer and cis-linked chain models. It is argued that the liquid is comprised of chains of cis-linked tetrameric building blocks when these data and modelling results are considered in light of NMR measurements.

Original languageEnglish (US)
Pages (from-to)239-245
Number of pages7
JournalJournal of Molecular Liquids
Issue numberSPEC. ISS.
StatePublished - Mar 15 2007


  • Empirical potential structure refinement
  • High-energy X-ray diffraction
  • Liquid antimony pentafluoride
  • Neutron diffraction

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry
  • Materials Chemistry


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