Crystal structure of the "intermediate" phase of the protonic conductor Rb3H(SeO4)2

B. V. Merinov*, S. M. Haile, U. Bismayer

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

14 Scopus citations


The crystal structure of Rb3H(SeO4)2 in its "intermediate" phase has been determined at T = 449K using synchrotron radiation (λ = 1.00798 Å). The phase is monoclinic, space group C2/m, with a = 10.691(3) Å, b = 6.167(2) Å, c = 8.429(4) Å, β = 115.00(1) V = 503.6(4) Å3, Mr = 543.32, Dx = 3.58g cm-3, μ = 81.3 cm-1, and Z = 2. Refinement was carried out to a residual Rw = 0.049 for 1002 unique reflections with I>3σ(I). Optical studies revealed the formation of a complex domain structure within this phase, and refinements were thus carried out assuming a twinned crystal model. Hydrogen bonds are arranged in a one-dimensional chain extending along b. Such a network is intermediate between that found in Rb3H(SeO4)2 at room temperature, in which selenate groups are linked into well-defined dimers (zero-dimensional), and that found in Rb3H(SeO4)2 at high temperature, in which the network is two-dimensional. The highly twinned structure suggests that macroscopic crystals will exhibit isotropic conductivity within the ab plane (similar to the high-temperature, trigonal phase) despite the anisotropic hydrogen bond arrangement within individual domains.

Original languageEnglish (US)
Pages (from-to)355-365
Number of pages11
JournalSolid State Ionics
Issue number3-4
StatePublished - Feb 2 2002


  • Crystal structure
  • Protonic conductor
  • Single crystal
  • Synchrotron radiation
  • Trirubidium hydrogen biselenate

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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