Structure of molten trivalent metal bromides studied by using neutron diffraction: The systems DyBr3, YBr3, HoBr3 and ErBr3

Jonathan C. Wasse, Philip S. Salmon, Robert G. Delaplane

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The structure of the salts MBr3, where M3+ denotes Dy3+, Y3+, Ho3+ or Er3+, was investigated by using neutron diffraction. On heating DyBr3, YBr3 and HoBr3, a phase transition from the FeCl3-type crystal structure to possibly the YCl3-type crystal structure was observed. The liquids were studied at the total-structure-factor level and difference function methods were also applied to DyBr3 and YBr3 by assuming isomorphous structures. The melts are found to comprise distorted MBr6 3- octahedra with M-Br distances comparable to the sum of the ionic radii and there is evidence for a substantial number of edge-sharing configurations. The octahedra pack to give intermediate-range ionic ordering as manifested by the appearance of a first sharp diffraction peak at 0.79(2)-0.87(2) angstroms-1 which is associated with cation correlations.

Original languageEnglish
Pages (from-to)9539-9550
Number of pages12
JournalJournal of Physics Condensed Matter
Issue number46
Publication statusPublished - 20 Nov 2000

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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