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@ARTICLE{Spahr:622533,
      author       = {Spahr, Dominik and Bykova, Elena and Bayarjargal,
                      Lkhamsuren and Milman, Victor and Liermann, Hanns-Peter and
                      Winkler, Björn},
      title        = {{S}ingle crystal diffraction study of {B}a$[{H} _4 {C} _4
                      {O} _{10}][{H} _3 {C} _4 {O} _{10}][{H} _2 {CO} _3 ][{HCO}
                      _3 ]$, a hydrous mixed sp$^2$ /sp$^3$ -carbonate},
      journal      = {Chemical communications},
      volume       = {61},
      number       = {1},
      issn         = {1359-7345},
      address      = {Cambridge},
      publisher    = {Soc.},
      reportid     = {PUBDB-2025-00370},
      pages        = {161-164},
      year         = {2024},
      note         = {DFG (projects WI1232, BA4020, FOR2125/CarboPaT and
                      BY101/2-1)},
      abstract     = {We have synthesized the first hydrous sp3-carbonate by
                      laser-heating Ba[CO$_3$], CO$_2$ and H$_2$O in a diamond
                      anvil cell at 40(3) GPa. The crystal structure of
                      Ba[H$_4$C$_4$O$_{10}$][H$_3$C$_4$O$_{10}$][H$_2$CO$_3$][HCO$_3$]
                      was determined by synchrotron single crystal X-ray
                      diffraction. The experiments were complemented by DFT-based
                      calculations. This compound is the first example of a
                      carbonate containing both trigonally-coordinated carbon in
                      [CO$_3$]$^{2−}$-groups and tetrahedrally coordinated
                      carbon in [CO$_4$]$^{4−}$-groups. The
                      [CO$_4$]$^{4−}$-groups polymerize by corner-sharing to
                      form pyramidal [C$_4$O$_{10}$]$^{4−}$-groups, which can
                      bind three or four hydrogen atoms. As the pyramidal
                      [C$_4$O$_{10}$]$^{4−}$-groups are a constituent of several
                      anhydrous sp$^3$-carbonates, we now expect that further
                      high-pressure hydrous carbonates can be obtained.},
      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) / FS-Proposal: I-20230653
                      (I-20230653)},
      pid          = {G:(DE-HGF)POF4-631 / G:(DE-HGF)POF4-6G3 /
                      G:(GEPRIS)264049573 / G:(DE-H253)I-20230653},
      experiment   = {EXP:(DE-H253)P-P02.2-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {39625072},
      UT           = {WOS:001368267800001},
      doi          = {10.1039/D4CC04674A},
      url          = {https://bib-pubdb1.desy.de/record/622533},
}