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@ARTICLE{McCalla:189319,
      author       = {McCalla, Eric and Abakumov, Artem and Rousse, Gwenaelle and
                      Reynaud, Marine and Sougrati, Moulay Tahar and Budic, Bojan
                      and Mahmoud, Abdelfattah and Dominko, Robert and Van
                      Tendeloo, Gustaaf and Tarascon, Jean-Marie and Hermann,
                      Raphael},
      title        = {{N}ovel {C}omplex {S}tacking of {F}ully-{O}rdered
                      {T}ransition {M}etal {L}ayers in {L}i $_{4}$ {F}e{S}b{O}
                      $_{6}$ {M}aterials},
      journal      = {Chemistry of materials},
      volume       = {27},
      number       = {5},
      issn         = {1520-5002},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2015-02497},
      pages        = {1699 - 1708},
      year         = {2015},
      abstract     = {As part of a broad project to explore Li4MM′O6 materials
                      (with M and M′ being selected from a wide variety of
                      metals) as positive electrode materials for Li-ion
                      batteries, the structures of Li4FeSbO6 materials with both
                      stoichiometric and slightly deficient lithium contents are
                      studied here. For lithium content varying from 3.8 to 4.0,
                      the color changes from yellow to black and extra
                      superstructure peaks are seen in the XRD patterns. These
                      extra peaks appear as satellites around the four
                      superstructure peaks affected by the stacking of the
                      transition metal atoms. Refinements of both XRD and neutron
                      scattering patterns show a nearly perfect ordering of Li,
                      Fe, and Sb in the transition metal layers of all samples,
                      although these refinements must take the stacking faults
                      into account in order to extract information about the
                      structure of the TM layers. The structure of the most
                      lithium rich sample, where the satellite superstructure
                      peaks are seen, was determined with the help of HRTEM, XRD,
                      and neutron scattering. The satellites arise due to a new
                      stacking sequence where not all transition metal layers are
                      identical but instead two slightly different compositions
                      stack in an AABB sequence giving a unit cell that is four
                      times larger than normal for such monoclinic layered
                      materials. The more lithium deficient samples are found to
                      contain metal site vacancies based on elemental analysis and
                      Mössbauer spectroscopy results. The significant changes in
                      physical properties are attributed to the presence of these
                      vacancies. This study illustrates the great importance of
                      carefully determining the final compositions in these
                      materials, as very small differences in compositions may
                      have large impacts on structures and properties.},
      cin          = {JCNS-2 / PGI-4 / JARA-FIT},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-2-20110106 / I:(DE-Juel1)PGI-4-20110106 /
                      $I:(DE-82)080009_20140620$},
      pnm          = {144 - Controlling Collective States (POF3-144) / 524 -
                      Controlling Collective States (POF3-524) / 6213 - Materials
                      and Processes for Energy and Transport Technologies
                      (POF3-621) / 6G4 - Jülich Centre for Neutron Research
                      (JCNS) (POF3-623)},
      pid          = {G:(DE-HGF)POF3-144 / G:(DE-HGF)POF3-524 /
                      G:(DE-HGF)POF3-6213 / G:(DE-HGF)POF3-6G4},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000350919000032},
      doi          = {10.1021/cm504500a},
      url          = {https://juser.fz-juelich.de/record/189319},
}