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@ARTICLE{Tolman:202226,
      author       = {Tolman, Kevin R. and Ubic, Rick and Papac, Meagan and
                      Seymour, Kevin C. and McCormack, Scott J. and Kriven,
                      Waltraud M. and Kungl, Hans},
      title        = {{S}tructural effect of aliovalent {D}oping in lead
                      perovskites},
      journal      = {Journal of solid state chemistry},
      volume       = {225},
      issn         = {0022-4596},
      address      = {Orlando, Fla.},
      publisher    = {Academic Press},
      reportid     = {FZJ-2015-04515},
      pages        = {359 - 367},
      year         = {2015},
      abstract     = {Composition–structure relationships are needed for
                      various applications, including lattice-matching for
                      heteroepitaxy; however, a general model to predict lattice
                      constants in defective perovskites is not yet available
                      because the exact nature of A-site vacancies in perovskites
                      remains largely unknown. In this study, it has been shown
                      experimentally via Le Bail refinements of x-ray diffraction
                      data that such vacancies in (Pb1−3xLa2x□x)TiO3 and
                      (Pb1−3xLa2x□x)(Zr0.6Ti0.4)O3 have an effective size due
                      to both Coulombic repulsion of coordinating oxygen ions and
                      bond relaxation. For the first time, cell volume can be
                      predicted in this system from stoichiometry and published
                      ionic radii data alone to within $0.2\%$ accuracy within
                      View the MathML source0≤x≤13 compositional range and
                      $<0.3\%$ accuracy all the way to View the MathML sourcex=13.
                      The model may be applied to other perovskite systems and
                      eventually provide tailored properties (magnetic,
                      dielectric, and other) based on improved structure
                      predictions.},
      cin          = {IEK-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-9-20110218},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000352828000052},
      doi          = {10.1016/j.jssc.2014.12.024},
      url          = {https://juser.fz-juelich.de/record/202226},
}