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@ARTICLE{Gatta:859486,
      author       = {Gatta, G. Diego and Rotiroti, Nicola and Cámara, Fernando
                      and Meven, Martin},
      title        = {{O}n the labyrinthine world of arsenites: a single-crystal
                      neutron and {X}-ray diffraction study of cafarsite},
      journal      = {Physics and chemistry of minerals},
      volume       = {45},
      number       = {9},
      issn         = {1432-2021},
      address      = {Heidelberg},
      publisher    = {Springer},
      reportid     = {FZJ-2019-00339},
      pages        = {819 - 829},
      year         = {2018},
      abstract     = {The crystal chemistry of a cafarsite sample from the
                      fengitic orthogneisses of the Mt. Leone-Arbola nappe (Lower
                      Penninic), forming the central body of Mount Cervandone and
                      cropping out both in Switzerland and Italy (Alpe Devero
                      area, Verbano-Cusio-Ossola province), was investigated by
                      electron microprobe analysis in wavelength-dispersive mode
                      (EPMA-WDS), single-crystal Raman spectroscopy, and
                      single-crystal X-ray and neutron diffraction at 293 K. The
                      sample of cafarsite of this study was found experimentally
                      to be anhydrous and the chemical formula obtained on the
                      basis of the EPMA-WDS data and structural refinements is the
                      following: Ca1,Ca2 (Ca15.56Na0.44)Σ16 Fe1 (Na0.53Fe2+
                      0.17REE0.30)Σ1.00 Mn1,Ti,Fe2 (Ti7.46Fe3+ 4.47Fe2+ 3.20Mn2+
                      0.85Al0.11) Σ16.11 As1,As2,As3 (AsO3)28 F F, with the
                      general chemical formula Ca16(Na,Fe2+,REE)(Ti,
                      Fe3+,Fe2+,Mn2+,Al)16(AsO3)28F [or
                      Ca16(Na,Fe2+,REE)(Ti,Fe3+,Al)12(Fe2+,Mn)4(AsO3)28F]. Our
                      experimental findings show that fluorine, which was
                      unconsidered in the previous studies, is a key element. The
                      anhydrous nature of this sample is also confirmed by its
                      Raman spectrum, which does not show any evidence of active
                      bands ascribable to the O-H stretching region. The X-ray and
                      neutron structure refinements provide a structure model that
                      is partially in agreement with the previous experimental
                      findings. The space group (i.e. Pn3) and the unit-cell
                      constant [i.e. 15.9507(4) Å] are conform to the literature
                      data, but the structure of cafarsite, here refined, contains
                      the following building units: three independent AsO3 groups
                      (trigonal pyramids), one CaO6F polyhedron, one CaO8
                      polyhedron, two independent (Ti,Fe)O6 octahedra, one
                      (Na,Fe,REE)O8 polyhedron, and one (Mn,Fe)O6 octahedron.
                      Connections among polyhedra are mainly due to edge- or
                      vertex-sharing; the AsO3 groups are not connected to each
                      other.},
      cin          = {JCNS-FRM-II / JCNS-2 / MLZ},
      ddc          = {530},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      I:(DE-Juel1)JCNS-2-20110106 / I:(DE-588b)4597118-3},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623)
                      / 6G15 - FRM II / MLZ (POF3-6G15)},
      pid          = {G:(DE-HGF)POF3-6G4 / G:(DE-HGF)POF3-6G15},
      experiment   = {EXP:(DE-MLZ)HEIDI-20140101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000445231600001},
      doi          = {10.1007/s00269-018-0964-z},
      url          = {https://juser.fz-juelich.de/record/859486},
}