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@ARTICLE{Ojwang:817987,
      author       = {Ojwang, Dickson O. and Grins, Jekabs and Wardecki, Dariusz
                      and Valvo, Mario and Renman, Viktor and Häggström, Lennart
                      and Ericsson, Tore and Gustafsson, Torbjörn and Mahmoud,
                      Abdelfattah and Svensson, Gunnar and Hermann, Raphael},
      title        = {{S}tructure {C}haracterization and {P}roperties of
                      {K}-{C}ontaining {C}opper {H}exacyanoferrate},
      journal      = {Inorganic chemistry},
      volume       = {55},
      number       = {12},
      issn         = {1520-510X},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2016-04563},
      pages        = {5924 - 5934},
      year         = {2016},
      abstract     = {Copper hexacyanoferrate, CuII[FeIII(CN)6]2/3·nH2O, was
                      synthesized, and varied amounts of K+ ions were inserted via
                      reduction by K2S2O3 (aq). Ideally, the reaction can be
                      written as CuII[FeIII(CN)6]2/3·nH2O + 2x/3K+ + 2x/3e– ↔
                      K2x/3CuII[FeIIxFeIII1–x(CN)6]2/3·nH2O. Infrared, Raman,
                      and Mössbauer spectroscopy studies show that FeIII is
                      continuously reduced to FeII with increasing x, accompanied
                      by a decrease of the a-axis of the cubic Fm3̅m unit cell.
                      Elemental analysis of K by inductively coupled plasma shows
                      that the insertion only begins when a significant fraction,
                      $∼20\%$ of the FeIII, has already been reduced.
                      Thermogravimetric analysis shows a fast exchange of water
                      with ambient atmosphere and a total weight loss of ∼26 wt
                      $\%$ upon heating to 180 °C, above which the structure
                      starts to decompose. The crystal structures of
                      CuII[FeIII(CN)6]2/3·nH2O and K2/3Cu[Fe(CN)6]2/3·nH2O were
                      refined using synchrotron X-ray powder diffraction data. In
                      both, one-third of the Fe(CN)6 groups are vacant, and the
                      octahedron around CuII is completed by water molecules. In
                      the two structures, difference Fourier maps reveal three
                      additional zeolitic water sites (8c, 32f, and 48g) in the
                      center of the cavities formed by the −Cu–N–C–Fe–
                      framework. The K-containing compound shows an increased
                      electron density at two of these sites (32f and 48g),
                      indicating them to be the preferred positions for the K+
                      ions.},
      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) / 6212 - Quantum
                      Condensed Matter: Magnetism, Superconductivity (POF3-621) /
                      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)POF3-6212 / G:(DE-HGF)POF3-6213 /
                      G:(DE-HGF)POF3-6G4},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000378369900028},
      pubmed       = {pmid:27258790},
      doi          = {10.1021/acs.inorgchem.6b00227},
      url          = {https://juser.fz-juelich.de/record/817987},
}