Neutron diffraction study of a Rb0.5Tl0.5H 2PO4 single crystal

In Hwan Oh, Stefan Mattauch, Gernot Heger, Cheol Eui Lee

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4 Citations (Scopus)


Crystal structure analysis of a mixed crystal Rb1-xTl xH2PO4 (x = 0.5) was performed at room temperature by neutron diffraction on a high-quality single crystal grown from aqueous solution. RbH2PO4 (RDP) and TlH2PO 4 (TDP) show distinct crystal structures despite the same ionic radii of Rb and Tl. The crystal structure of Rb0.5Tl0.5H 2PO4 is isotypic to TDP showing disordered H atoms in the O⋯H⋯O hydrogen bonds. The lone-pair electrons of Tl+ ions are believed to stabilize the two-dimensional network of hydrogen bonded PO4-groups. In contrast to the case of TDP, Rb0.5Tl 0.5H2PO4 shows no phase transition at low temperatures despite the disordered character, with a strengthening of two hydrogen bonds as indicated by shorter O⋯O distances and greater O⋯H⋯O bond angles.

Original languageEnglish
Article number094602
JournalJournal of the Physical Society of Japan
Issue number9
Publication statusPublished - 2008 Sept


  • Crystal structure
  • Hydrogen bonding
  • Inorganic compounds
  • Neutron diffraction
  • RDP
  • TDP

ASJC Scopus subject areas

  • General Physics and Astronomy


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