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@ARTICLE{Lotti:1018015,
      author       = {Lotti and Gatta, Diego G. and Gigli, Lara and Krüger,
                      Hannes and Kahlenberg, Volker and Meven, Martin and Comoni,
                      Davide and Milani, Sula and Merlini, Marco and Liermann,
                      Hanns Peter},
      title        = {{T}hermal and combined high-temperature and high-pressure
                      behavior of a natural intermediate scapolite},
      journal      = {American mineralogist},
      volume       = {109},
      number       = {2},
      issn         = {0003-004X},
      address      = {Alexandria, Va.},
      publisher    = {GeoScienceWorld},
      reportid     = {FZJ-2023-04485},
      pages        = {243–254},
      year         = {2024},
      abstract     = {A natural intermediate member of the scapolite solid
                      solution (Me$_{47}$; experimental chemical formula:
                      (Na$_{1.86}$Ca$_{1.86}$K$_{0.23}$Fe$_{0.01}$)(Al$_{4.36}$Si$_{7.64}$)O$_{24}$[Cl$_{0.48}$(CO$_3$)$_{0.48}$(SO$_4$)$_{0.01}$]),
                      with the unusual I4/m space group, has been studied at
                      various temperatures and combined high-$T$ and high-$P$ by
                      means of in situ single-crystal and powder X-ray
                      diffraction, at both conventional and synchrotron sources.
                      In addition, single-crystal neutron diffraction data were
                      collected at ambient-T and 685 °C. A fit of the
                      experimental V-T data with a thermal equation of state
                      yielded a calculated thermal expansion coefficient at
                      ambient conditions: $α_{V25°C} =
                      1/V_0·(∂V/∂T)_{P,25°C} = 1.74(3)·10^{-5}$ K$^{-1}$. A
                      comparative analysis of the elastic behavior of scapolite
                      based on this study and other high-$T$ XRD data reported in
                      the literature suggests that a thorough re-investigation of
                      the different members of the marialite-meionite solid
                      solution is needed to fully understand the role of crystal
                      chemistry on the thermal behavior of these complex
                      non-binary solid solutions. The experimental data obtained
                      within the full temperature range of analysis at ambient
                      pressure confirm that the investigated sample always
                      preserves the I4/m space group, and possible implications on
                      the metastability of I4/m intermediate scapolite are
                      discussed. Neutron diffraction data show that no significant
                      Si and Al re-arrangement among the T sites occurs between 25
                      and 685 °C. The combined high-$T$ and high-$P$ data show
                      that at 650 °C and between 10.30(5) and 10.71(5) GPa a
                      phase transition towards a triclinic polymorph occurs, with
                      a positive Clapeyron slope (i.e., $dP/dT > 0$). A
                      comprehensive description of the atomic-scale structure
                      deformation mechanisms induced by temperature and/or
                      pressure, including those leading to structural instability,
                      is provided based on single-crystal structure refinements.},
      cin          = {JCNS-FRM-II / JARA-FIT / JCNS-2 / MLZ},
      ddc          = {540},
      cid          = {I:(DE-Juel1)JCNS-FRM-II-20110218 /
                      $I:(DE-82)080009_20140620$ / I:(DE-Juel1)JCNS-2-20110106 /
                      I:(DE-588b)4597118-3},
      pnm          = {6G4 - Jülich Centre for Neutron Research (JCNS) (FZJ)
                      (POF4-6G4) / CALIPSOplus - Convenient Access to Light
                      Sources Open to Innovation, Science and to the World
                      (730872)},
      pid          = {G:(DE-HGF)POF4-6G4 / G:(EU-Grant)730872},
      experiment   = {EXP:(DE-MLZ)HEIDI-20140101 / EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:001155433300013},
      doi          = {10.2138/am-2023-8962},
      url          = {https://juser.fz-juelich.de/record/1018015},
}