Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination

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

doi:10.1016/J.JSSC.2014.04.002

Title: Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination

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Abstract

A new oxychloride Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl 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 Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is a new n=4 member of the oxychloride perovskite-based homologous series A{sub n+1}B{sub n}O{sub 3n−1}Cl. The structure is built of truncated Pb{sub 3}Fe{sub 3}TiO{sub 11} quadruple perovskite blocks separated by CsCl-type Pb{sub 2}Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O{sub 6} octahedra sandwiched between two layers of (Fe,Ti)O{sub 5} square pyramids. The Ti{sup 4+} cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti{sup 4+} in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μ{sub B} and 3.86(5) μ{sub B} on the octahedralmore »« less

Authors:

Batuk, Maria ^[1]; Batuk, Dmitry ^[1]; Abakumov, Artem M. ^[1]; Hadermann, Joke ^[1]

Electron Microscopy for Materials Research (EMAT), University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium)

Publication Date:: Tue Jul 01 00:00:00 EDT 2014

OSTI Identifier:: 22334289

Resource Type:: Journal Article

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 215; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596

Country of Publication:: United States

Language:: English

Subject:: 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CATIONS; CRYSTALS; ELECTRON DIFFRACTION; NEUTRON DIFFRACTION; OXYCHLORIDES; OXYGEN; PEROVSKITE; SOLIDS; SPACE GROUPS; TETRAGONAL LATTICES; TITANIUM IONS; TRANSMISSION ELECTRON MICROSCOPY; X-RAY DIFFRACTION; X-RAY SPECTROSCOPY

Citation Formats


                    Batuk, Maria, Batuk, Dmitry, Abakumov, Artem M., Department of Chemistry, Moscow State University, 119991 Moscow, and Hadermann, Joke. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination.  United States: N. p., 2014. 
        Web.  doi:10.1016/J.JSSC.2014.04.002.

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                    Batuk, Maria, Batuk, Dmitry, Abakumov, Artem M., Department of Chemistry, Moscow State University, 119991 Moscow, & Hadermann, Joke. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination.  United States.  https://doi.org/10.1016/J.JSSC.2014.04.002

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                    Batuk, Maria, Batuk, Dmitry, Abakumov, Artem M., Department of Chemistry, Moscow State University, 119991 Moscow, and Hadermann, Joke. 2014.  
        "Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination".  United States.  https://doi.org/10.1016/J.JSSC.2014.04.002.

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@article{osti_22334289,

  title        = {Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl: A rare example of Ti(IV) in a square pyramidal oxygen coordination},

  author       = {Batuk, Maria and Batuk, Dmitry and Abakumov, Artem M. and Department of Chemistry, Moscow State University, 119991 Moscow and Hadermann, Joke},

  abstractNote = {A new oxychloride Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl 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 Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl crystallizes in the P4/mmm space group with the unit cell parameters a=3.91803(3) Å and c=19.3345(2) Å. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is a new n=4 member of the oxychloride perovskite-based homologous series A{sub n+1}B{sub n}O{sub 3n−1}Cl. The structure is built of truncated Pb{sub 3}Fe{sub 3}TiO{sub 11} quadruple perovskite blocks separated by CsCl-type Pb{sub 2}Cl slabs. The perovskite blocks consist of two layers of (Fe,Ti)O{sub 6} octahedra sandwiched between two layers of (Fe,Ti)O{sub 5} square pyramids. The Ti{sup 4+} cations are preferentially located in the octahedral layers, however, the presence of a noticeable amount of Ti{sup 4+} in a five-fold coordination environment has been undoubtedly proven using neutron powder diffraction and atomic resolution compositional mapping. Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below 450(10) K. The ordered Fe magnetic moments at 1.5 K are 4.06(4) μ{sub B} and 3.86(5) μ{sub B} on the octahedral and square-pyramidal sites, respectively. - Highlights: • Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl has been synthesized using the solid state method. • The structure has been refined using neutron powder diffraction data at 1.5–550 K. • It is a new n=4 member of the perovskite-related homologous series A{sub n+1}B{sub n}O{sub 3n−1}Cl. • Ti{sup 4+} cations have both octahedral and square-pyramidal coordination environment. • Pb{sub 5}Fe{sub 3}TiO{sub 11}Cl is antiferromagnetically ordered below T{sub N}≈450 K.},

  doi          = {10.1016/J.JSSC.2014.04.002},

  url          = {https://www.osti.gov/biblio/22334289},
  journal      = {Journal of Solid State Chemistry},

  issn         = {0022-4596},

  number       = ,

  volume       = 215,

  place        = {United States},

  year         = {Tue Jul 01 00:00:00 EDT 2014},

  month        = {Tue Jul 01 00:00:00 EDT 2014}

}

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