Anomalous octahedral distortion and multiple phase transitions in the metal-ordered manganite YBaMn2O6

T. Nakajima, H. Kageyama, M. Ichihara, K. Ohoyama, H. Yoshizawa, Y. Ueda

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46 Citations (Scopus)


By means of powder X-ray diffraction, powder neutron diffraction and transmission electron microscopy (TEM), we determined the crystal structures of a metal-ordered manganite YBaMn2O6 which undergoes successive phase transitions. A high-temperature metallic phase (T c1=520K<T) crystallizes in a triclinic P1 with the following unit cell: Z=2, a=5.4948(15)Å, b=5.4920(14)Å, c=7.7174(4)Å, α=89.804(20)°, β=90.173(20)°, γ=91.160(4)°. The MnO6 octahedral tilting is approximately written as a 0b-c-, leading to a significant structural anisotropy within the ab plane. The structure for Tc2<T<T c1 is a monoclinic P2 (Z=2, a=5.5181(4)Å, b=5.5142(4)Å, c=7.6443(3)Å, β=90.267(4)°) with an a-b -c- tilting. The structural features suggest a d x2-y2 orbital ordering (OO). Below Tc2=480K, crystallographically inequivalent two octahedra show distinct volume difference, due to the Mn3+/Mn4+ charge ordering. The TEM study furthermore revealed a unique d3x2-r2/d3y2-r2 OO with a modified CE structure. It was found that the obtained crystal structures are strongly correlated to the unusual physical properties. In particular, the extremely high temperature at which charge degree of freedom freezes, T c2, should be caused by the absence of the structural disorder and by heavily distorted MnO6 octahedra.

Original languageEnglish
Pages (from-to)987-999
Number of pages13
JournalJournal of Solid State Chemistry
Issue number3
Publication statusPublished - 2004 Mar
Externally publishedYes


  • CE structure
  • Charge/orbital ordering
  • Metal-ordered perovskite
  • Octahedral tilting
  • Transmission electron microscopy
  • X-ray and neutron diffraction
  • YBaMnO

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry


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