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@ARTICLE{Bayarjargal:643487,
      author       = {Bayarjargal, Lkhamsuren and Spahr, Dominik and Milman,
                      Victor and Giordano, Nico and Glazyrin, Konstantin and
                      Winkler, Bjoern},
      title        = {{S}ynthesis and {C}haracterization of {T}i $^{4+}$
                      {C}ontaining {C}arbonates {T}i[{CO}$_4$] and {T}i$_2$
                      {O}$_3$ [{CO} $_3$]},
      journal      = {Inorganic chemistry},
      volume       = {64},
      number       = {44},
      issn         = {0020-1669},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {PUBDB-2026-00234},
      pages        = {21893 - 21902},
      year         = {2025},
      note         = {DFG (projectsBA4020, BY101/2-1, and WI1232) and the
                      DFG-ResearchUnit FOR2125/CarboPaT. B},
      abstract     = {Two titanium carbonates, Ti[CO$_4$] and
                      Ti$_2$O$_3$[CO$_3$], were synthesized by the reaction of
                      TiO$_2$ with CO$_2$ at high pressures and temperatures in a
                      laser heated diamond anvil cell. Their structures were
                      solved by in situ single crystal X-ray diffraction at high
                      pressures. At pressures above ≈33 GPa, Ti[CO$_4$]-I4̅2d
                      is stable. It transforms to Ti[CO$_4$]-I4$_1$/amd on
                      pressure release. The distinguishing feature of the
                      Ti[CO$_4$]-structures is the presence of isolated
                      [CO$_4$]$^{4-}$-groups, while Ti$_2$O$_3$[CO$_3$] has
                      isolated [CO$_3$]$_2$–-groups. Both structures contain
                      8-fold coordinated tetravalent Ti$^{4+}$-cations. Full
                      geometry optimizations based on DFT calculations reproduced
                      the crystal structures. The DFT models were used to
                      complement the experimental compression data and for the
                      assignment of Raman modes. While carbonates are typically
                      compressible compounds, Ti[CO$_4$] is rather incompressible
                      with a bulk modulus of K0 ≈ 200 GPa. As we observed the
                      pressure-induced transformation of TiO$_2$, we provide the
                      Raman spectra of TiO$_2$–OI, and TiO$_2$–OII.},
      cin          = {DOOR ; HAS-User / FS-PETRA-D},
      ddc          = {540},
      cid          = {I:(DE-H253)HAS-User-20120731 /
                      I:(DE-H253)FS-PETRA-D-20210408},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631) / 6G3 - PETRA III (DESY) (POF4-6G3) / DFG project
                      G:(GEPRIS)264049573 - Carbonate und Schock-Kompression:
                      Stabilität, Phasentransformation und chemische Reaktionen
                      mit Silikaten (264049573)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)264049573},
      experiment   = {EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      doi          = {10.1021/acs.inorgchem.5c03033},
      url          = {https://bib-pubdb1.desy.de/record/643487},
}