Pb5Fe3TiO11Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination

Maria Batuk, Dmitry Batuk, Artem M. Abakumov, Joke Hadermann

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5 Citations (Scopus)


A new oxychloride Pb5Fe3TiO11Cl has been synthesized using the solid state method. Its crystal and magnetic structure was investigated in the 1.5-550 K temperature range using electron diffraction, high angle annular dark field scanning transmission electron microscopy, atomic resolution energy dispersive X-ray spectroscopy, neutron and X-ray powder diffraction. At room temperature Pb5Fe3TiO11Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb5Fe 3TiO11Cl is a new n=4 member of the oxychloride perovskite-based homologous series An+1BnO 3n-1Cl. The structure is built of truncated Pb3Fe 3TiO11 quadruple perovskite blocks separated by CsCl-type Pb2Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O6 octahedra sandwiched between two layers of (Fe,Ti)O 5 square pyramids. The Ti4+ cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti4+ in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb5Fe3TiO11Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μB and 3.86(5) μB on the octahedral and square-pyramidal sites, respectively.

Original languageEnglish
Pages (from-to)245-252
Number of pages8
JournalJournal of Solid State Chemistry
Publication statusPublished - Jul 2014
Externally publishedYes


  • Atomic resolution EDX
  • Five-fold coordinated titanium
  • Neutron powder diffraction
  • Oxychloride
  • Perovskite
  • Scanning transmission electron microscopy


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