Skip to content

Synthesis of calcium orthocarbonate, Ca2CO4-Pnma at P-T conditions of Earth’s transition zone and lower mantle

MetadataDetails
Publication Date2021-03-05
JournalAmerican Mineralogist
AuthorsJannes Binck, Dominique Laniel, Lkhamsuren Bayarjargal, Saiana Khandarkhaeva, Timofey Fedotenko
InstitutionsDassault Systèmes (United Kingdom), Goethe University Frankfurt
Citations35

Abstract We show, by single-crystal diffraction studies in laser-heated diamond-anvil cells, that Ca2CO4 orthocarbonate, which contains CO44− tetrahedra, can be formed already at ~20 GPa at ~1830 K, i.e., at much lower pressures than other carbonates with sp3-hybridized carbon. Ca2CO4 can also be formed at ~89 GPa and ~2500 K. This very broad P-T range suggests the possible existence of Ca2CO4 in the Earth’s transition zone and in most of the lower mantle. Raman spectroscopy shows the typical bands associated with tetrahedral CO44−-groups. DFT-theory based calculations reproduce the experimental Raman spectra and indicate that at least in the athermal limit the phase assemblage of Ca2CO4 + 2SiO2 is more stable than 2CaSiO3 + CO2 at high pressures.

  1. 2006 - Pressure calibration of diamond anvil Raman gauge to 310 GPa [Crossref]
  2. 1985 - The structures of the polymorphs of dicalcium silicate, Ca2SiO4 [Crossref]
  3. 1974 - The geometry of polyhedral distortions. Predictive relationships for the phosphate group [Crossref]
  4. 2018 - CaCO3 phase diagram studied with Raman spectroscopy at pressures up to 50 GPa and high temperatures and DFT modeling [Crossref]
  5. 2004 - Temperature gradients, wavelength-dependent emissivity, and accuracy of high and very-high temperatures measured in the laser-heated diamond cell [Crossref]
  6. 2017 - High-pressure phase behavior of SrCO3: an experimental and computational Raman scattering study [Crossref]
  7. 2020 - High-pressure, high-temperature phase stability of iron-poor dolomite and the structures of dolomite-IIIc and dolomite-V [Crossref]
  8. 2020 - Phase stabilities of MgCO3 and MgCO3-II studied by Raman spectroscopy, X-ray diffraction, and density functional theory calculations [Crossref]
  9. 1947 - Finite elastic strain of cubic crystals [Crossref]
  10. 2006 - New diamond cell for single-crystal X-ray diffraction [Crossref]