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@ARTICLE{Fantin:824261,
      author       = {Fantin, Andrea and Scherb, Tobias and Seeger, Janka and
                      Schumacher, Gerhard and Gerhards, Uta and Ivanova, Mariya
                      and Meulenberg, Wilhelm A. and Dittmeyer, Roland and
                      Banhart, John},
      title        = {{C}rystal structure of {R}e-substituted lanthanum tungstate
                      {L}a$_{5.4}${W}$_{1− y}${R}e$_{y}${O}$_{12–δ}$ (0 ≤ y
                      ≤ 0.2) studied by neutron diffraction},
      journal      = {Journal of applied crystallography},
      volume       = {49},
      number       = {5},
      issn         = {1600-5767},
      address      = {Copenhagen},
      publisher    = {Munksgaard},
      reportid     = {FZJ-2016-06880},
      pages        = {1544 - 1560},
      year         = {2016},
      abstract     = {A precise determination of sample composition and water
                      uptake of La6-xWO12-[delta] (0.4 [less-than or equal to] x
                      [less-than or equal to] 0.8) and Re-substituted
                      La5.4W1-yReyO12-[delta] (0 [less-than or equal to] y
                      [less-than or equal to] 0.2) lanthanum tungstate is carried
                      out. Sample compositions and water uptake were determined by
                      electron probe micro-analysis and thermogravimetry,
                      respectively. A single-phase region of Re-substituted
                      lanthanum tungstates is reported. The crystal structure of
                      two selected specimens produced by the citrate-complexation
                      route based on the Pechini method, namely La5.4WO12-[delta]
                      and La5.4W0.8Re0.2O12-[delta], was investigated by neutron
                      diffraction in the temperature range 1.5 [less-than or equal
                      to] T [less-than or equal to] 1200 K. The structural model
                      for lanthanum tungstates is validated, according to which
                      the Wyckoff site shared by La and W $(Fm{\overline$ 3}m
                      space group, 24d site) is split with half-site occupancies
                      $(Fm{\overline$ 3}m space group, 48h site). Replacement of W
                      by up to 20 $mol\%$ Re does not change the lattice
                      structure, and Re atoms substitute for W statistically in
                      both 4a and 48h Wyckoff sites of the $Fm{\overline$ 3}m
                      space group, as shown by combining the average neutron
                      scattering length procedure, thermogravimetry and electron
                      probe micro-analysis. Using the Willis and Pryor approach to
                      anisotropic displacement parameters it is shown that the
                      remaining static disorder in the unit cell found in
                      La5.4WO12-[delta] and La5.4W0.8Re0.2O12-[delta] structures
                      is comparable, when the $Fm{\overline$ 3}m space group with
                      split 48h site is employed. Through the estimation of the
                      Debye temperature for both compounds, extracted from the
                      analysis of thermal expansion coefficients and from the
                      Willis and Pryor approach, anion anharmonic vibrations like
                      those in yttria-stabilized zirconia are proven to exist in
                      LaWO for the first time.},
      cin          = {IEK-1},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013},
      pnm          = {113 - Methods and Concepts for Material Development
                      (POF3-113)},
      pid          = {G:(DE-HGF)POF3-113},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000388354800018},
      doi          = {10.1107/S1600576716011523},
      url          = {https://juser.fz-juelich.de/record/824261},
}