Disordered configuration of methylammonium of CH3NH 3PbBr3 determined by single crystal neutron diffractometry

H. Mashiyama, Y. Kawamura, H. Kasano, T. Asahi, Y. Noda, H. Kimura

Research output: Contribution to journalConference articlepeer-review

25 Citations (Scopus)


In order to understand the mechanism of the structural phase transition in CH3NH3PbBr3, neutron diffraction data from the single crystal is analyzed by the least-squares method and the maximum entropy method. The disordered configuration of a methylammonium ion in a cage surrounded by eight PbBr6 octahedrons is identified unambiguously. With comparing the low-temperature structure, the transition is characterized by the condensation of the rotational motion of the PbBr6 octahedron around the Pb-Br axis, which accompanies the partial ordering of the methylammonium ion to reduce the site symmetry.

Original languageEnglish
Pages (from-to)182-186
Number of pages5
Publication statusPublished - 2007
Event8th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF-8 - Tsukuba, Japan
Duration: 2006 May 152006 May 19


  • Disordered configuration
  • Methylammonium
  • Perovskite structure
  • Phase transition

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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