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@ARTICLE{Fantin:865075,
      author       = {Fantin, Andrea and Scherb, Tobias and Seeger, Janka and
                      Schumacher, Gerhard and Gerhards, Uta and Ivanova, Mariya E.
                      and Meulenberg, Wilhelm A. and Dittmeyer, Roland and
                      Banhart, John},
      title        = {{C}rystal structure of {M}o-substituted lanthanum tungstate
                      {L}a 5.4 {W} 1− y {M}o y {O} 12−δ (0 ≤ y ≤ 0.2)
                      studied by {X}-ray and neutron diffraction},
      journal      = {Journal of applied crystallography},
      volume       = {52},
      number       = {5},
      issn         = {1600-5767},
      address      = {[S.l.]},
      publisher    = {Wiley-Blackwell},
      reportid     = {FZJ-2019-04637},
      pages        = {},
      year         = {2019},
      abstract     = {A determination of the detailed crystal structure of an
                      Mo-substituted lanthanum tungstate series,
                      La6−xW1−yMoyO12−δ (0 ≤ y ≤ 0.2, δ is the oxygen
                      deficiency), is presented. Material of composition
                      La5.4W0.8Mo0.2O12−δ (y = 0.2) produced by the
                      citrate-complexation route based on the Pechini method was
                      investigated by high-resolution X-ray diffraction and
                      neutron diffraction in the temperature range 10 ≤ T ≤
                      298 K. The results are compared with a non-substituted
                      material La5.4WO12−δ. A structural model established
                      earlier for lanthanum tungstates and Re-substituted
                      lanthanum tungstates is confirmed, according to which the
                      Wyckoff site shared by La and W is split with half site
                      occupancies $(Fm\bar$ 3m space group, 48h site) and also
                      accommodates Mo atoms. Substitution of W by up to
                      $20 mol\%$ Mo does not change the face-centred cubic
                      lattice: Mo atoms substitute W statistically on both 4a and
                      48h Wyckoff sites of the crystal structure, which is
                      described by the $Fm\bar$ 3m space group. These results were
                      obtained from the combination of the average
                      neutron-scattering length and average X-ray scattering power
                      procedures with electron-probe micro-analysis. The
                      temperature dependence of bond lengths in dry and wet (D2O)
                      conditions shows that vacant oxygen sites are located on the
                      32f Wyckoff sites also in Mo-substituted lanthanum
                      tungstates, and that the bond lengths between La on 4b and O
                      on 32f increase with increasing pO2 and pD2O, reflecting the
                      filling of oxygen vacancies and the increase in coordination
                      of La on 4b.},
      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:000497756900014},
      doi          = {10.1107/S1600576719009385},
      url          = {https://juser.fz-juelich.de/record/865075},
}