Neutron powder diffraction study of protonic conductor K 3H(SeO4)2

Fumihito Shikanai, Keisuke Tomiyasu, Ryoji Kiyanagi, Masao Yonemura, Kenji Iwase, Dyah Sulistyanintyas, Tuerxun Wurnisha, Kazuhiro Mori, Toru Ishigaki, Itaru Tsukushi, Susumu Ikeda, Takashi Kamiyama

Research output: Contribution to journalConference articlepeer-review

7 Citations (Scopus)


Crystal structures of protonic conductor K3H(SeO4)2 in the phase I (conducting phase) and phase II (room-temperature phase) have been determined using a time-of-flight (TOF) neutron diffractometer VEGA. SeO4 tetrahedra in the phase I were rotationally displaced with the occupancy 1/3 and the crystal structure in the phase II was remain locally. Proton distribution maps were obtained from the maximum entropy method (MEM) describe that the amount of the proton in a hydrogen bond were decline from 87.3% to 21.4% with increasing the temperature and 13.4% of protons exist at inter-layer space. Incoherent quasi-elastic neutron scattering (QENS) experiments performed by LAM80-ET spectrometer yield the QENS spectra of conducting protons. Proton diffusion constants are estimated as 1.9(1) 10- 10 m2/s at 393 K and 2.1(3) 10- 10 m2/s at 413 K, respectively.

Original languageEnglish
Pages (from-to)74-78
Number of pages5
Publication statusPublished - 2007
Externally publishedYes
Event8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8 - Tsukuba, Japan
Duration: 2006 May 152006 May 19


  • KH(SeO)
  • Neutron
  • Protonic conductor
  • Quasi-elastic scattering
  • Structure analysis

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


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