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@ARTICLE{Park:599931,
      author       = {Park, Sohyun and Paulmann, Carsten and Hoelzel, Markus and
                      Hochleitner, Rupert},
      title        = {{M}echanism for the {C}ombined {L}i–{N}a {I}onic
                      {C}onductivity in {S}ugilite
                      ({F}e$_2${N}a$_2${K}[{L}i$_3${S}i$_{12}${O}$_{30}$])-{T}ype
                      {C}ompounds},
      journal      = {Minerals},
      volume       = {13},
      number       = {5},
      issn         = {2075-163X},
      address      = {Basel},
      publisher    = {MDPI},
      reportid     = {PUBDB-2023-07620},
      pages        = {620},
      year         = {2023},
      abstract     = {This study explains the ionic conductivity in the mineral
                      sugilite (idealized formula:
                      Fe$_2$Na$_2$K[Li$_3$Si$_{12}$O$_{30}$]) by resolving the
                      dynamic disorder of both Li and Na cations using synchrotron
                      X-ray single-crystal diffraction from 298 K to 1023 K.
                      Non-zero anharmonic atomic displacement parameters at Na and
                      Li sites at 1023 K adumbrated long-range charge transport
                      routes for Li and Na cations commonly parallel to the
                      (a–b) plane. Temperature-enhanced diffuse residuals in
                      Fourier maps could unambiguously localize two interstitial
                      sites suitable for Li, as well as three for Na. Each
                      two-dimensional (2D) network of Li and Na interstitials was
                      formed parallel to each other, providing Li and Na hopping
                      pathways. The higher concentration of Na cations hopping in
                      short distances of 2.0962(4)–2.3015(5) Å could be the
                      main reason for the higher bulk conductivity values
                      evaluated by impedance spectra of sugilite in comparison to
                      those of its structural relatives with low Na contents,
                      e.g., the mineral sogdianite
                      ((Zr,Al,Fe)$_2$Na$_{0.36}$K[Li$_3$Si$_{12}$O$_{30}$]). Bond
                      valence sum landscape maps supported the critical role of
                      dynamic disorder of Na$^+$ over densely packed 2D
                      interstitial networks for combined ionic conductivity along
                      with mobile Li+ in sugilite-type compounds.},
      cin          = {DOOR ; HAS-User},
      ddc          = {550},
      cid          = {I:(DE-H253)HAS-User-20120731},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      experiment   = {EXP:(DE-H253)D-F1-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000998302700001},
      doi          = {10.3390/min13050620},
      url          = {https://bib-pubdb1.desy.de/record/599931},
}