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@ARTICLE{Li:465687,
      author       = {Li, Xinyang and Speziale, Sergio and Glazyrin, Konstantin
                      and Wilke, Franziska D. H. and Liermann, Hanns-Peter and
                      Koch-Mueller, Monika},
      title        = {{S}ynthesis, structure refinement and single-crystal
                      elasticity of {A}l-bearing superhydrous phase {B}},
      journal      = {American mineralogist},
      volume       = {107},
      number       = {5},
      issn         = {0003-004X},
      address      = {Alexandria, Va.},
      publisher    = {GeoScienceWorld},
      reportid     = {PUBDB-2021-03999},
      pages        = {885 - 895},
      year         = {2021},
      abstract     = {Dense hydrous magnesium silicates (DHMSs) with large water
                      content and wide stability fields are a potential H2O
                      reservoir in the deep Earth. Al-bearing superhydrous phase B
                      (shy-B) with a wider stability field than the Al-free
                      counterpart can play an important role in understanding
                      H$_2$O transport in the Earth’s transition zone and
                      topmost lower mantle. In this study, a nominally Al-free and
                      two different Al-bearing shy-B with 0.47(2) and 1.35(4) Al
                      atoms per formula unit (pfu), were synthesized using a
                      rotating multi-anvil press. The single-crystal structures
                      were investigated by X-ray diffraction (XRD) complemented by
                      Raman spectroscopy, and Fourier-transform infrared
                      spectroscopy (FTIR). Single-crystal XRD shows that the cell
                      parameters decrease with increasing Al-content. By combining
                      X-ray diffraction and spectroscopy results, we conclude that
                      the Al-poor shy-B crystallizes in the Pnn2 space group with
                      hydrogen in two different general positions. Based on the
                      results of the single crystal X-ray diffraction refinements
                      combined with FTIR spectroscopy, three substitutions
                      mechanisms are proposed: 2 Al$^{3+}$ = Mg$^{2+}$ +
                      Si$^{4+}$; Mg$^{2+}$ ☐$^{Mg2+}$ + 2H$^+$ (☐$^{Mg2+}$
                      means vacancy in Mg site); ; Si$^{4+}$ = Al$^{3+}$ + H$^+$.
                      Thus, in addition to the two general H positions, hydrogen
                      is incorporated into the hydrous mineral via point defects.
                      The elastic stiffness coefficients were measured for the
                      Al-shy-B with 1.35 pfu Al by Brillouin scattering (BS).
                      Al-bearing shy-B shows lower C$_{11}$, higher C$_{22}$ and
                      similar C$_{33}$ when compared to Al-free shy-B. The elastic
                      anisotropy of Al-bearing shy-B is also higher than that of
                      the Al-free composition. Such different elastic properties
                      are due to the effect of lattice contraction as a whole and
                      the specific chemical substitution mechanism that affect
                      bonds strength. Al-bearing shy-B with lower velocity, higher
                      anisotropy and wider thermodynamic stability can help to
                      understand the low velocity zone and high anisotropy region
                      in the subducted slab located in Tonga.},
      cin          = {FS-PETRA-D},
      ddc          = {540},
      cid          = {I:(DE-H253)FS-PETRA-D-20210408},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G3 - PETRA III (DESY) (POF4-6G3)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3},
      experiment   = {EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000790666400010},
      doi          = {10.2138/am-2022-7989},
      url          = {https://bib-pubdb1.desy.de/record/465687},
}