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@ARTICLE{Giarola:834096,
      author       = {Giarola, Marco and Sanson, Andrea and Tietz, Frank and
                      Pristat, Sylke and Dashjav, Enkhtsetseg and Rettenwander,
                      Daniel and Redhammer, G?nther J. and Mariotto, Gino},
      title        = {{S}tructure and {V}ibrational {D}ynamics of
                      {NASICON}-{T}ype {L}i{T}i2({PO}4)3},
      journal      = {The journal of physical chemistry / C},
      volume       = {121},
      number       = {7},
      issn         = {1932-7455},
      address      = {Washington, DC},
      publisher    = {Soc.},
      reportid     = {FZJ-2017-04097},
      pages        = {3697 - 3706},
      year         = {2017},
      abstract     = {Small single crystals of NASICON-type LiTi2(PO4)3 of high
                      quality were grown by means of long-term annealing of
                      polycrystalline specimens synthesized using conventional
                      solid state reaction. A thorough study of their structural
                      properties and vibrational dynamics was carried out by means
                      of an integrated experimental and theoretical approach. A
                      single-crystal X-ray diffraction analysis at room
                      temperature allowed us to determine the precise crystal
                      structure and the anisotropic displacement parameters of all
                      atoms. In addition, all the 25 independent components of the
                      polarizability tensor, expected on the basis of the group
                      theory for the LiTi2(PO4)3 crystal, were observed using
                      polarized Raman spectroscopy in backscattering geometry on a
                      microcrystal, properly oriented by a micromanipulator. Thus,
                      all the expected Raman modes have been unambiguously
                      identified by determining both their wavenumber and symmetry
                      throughout an accurate analysis of the spectral profiles
                      observed in the different polarization configurations.
                      Finally, these experimental findings were fully corroborated
                      by the results of first-principles calculations performed to
                      determine Raman and infrared vibrational modes.},
      cin          = {IEK-1 / IEK-12},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IEK-1-20101013 / I:(DE-Juel1)IEK-12-20141217},
      pnm          = {131 - Electrochemical Storage (POF3-131)},
      pid          = {G:(DE-HGF)POF3-131},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000394924800004},
      doi          = {10.1021/acs.jpcc.6b11067},
      url          = {https://juser.fz-juelich.de/record/834096},
}