Structure of molten trivalent metal chlorides studied by using neutron diffraction: The systems TbCl3, YCl3, HoCl3 and ErCl3

Jonathan C. Wasse, Philip S. Salmon

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The total structure factors of the molten trivalent metal chlorides MCI3, where M denotes Tb, Y. Ho or Er, were measured by using neutron diffraction. All four salts melt with a small volume change of ≤5% from structures comprising MCI6 3- octahedra to form liquids which show intermediate-range ionic ordering as manifest by a first sharp diffraction peak at ≈ 1 Å-1 that moves to smaller scattering vector values with decreasing cation size. In the liquid state, the M-C1 distances are comparable with the sum of the ionic radii and the results are consistent with the existence of distorted MCI6 3- octahedral units The implications of the results for a polarizable ion interaction model used in recent molecular dynamics calculations are briefly discussed.

Original languageEnglish
Pages (from-to)9293-9302
Number of pages10
JournalJournal of Physics Condensed Matter
Issue number47
Publication statusPublished - 29 Nov 1999

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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