Ca3[C2O5]2[CO3] is a pyrocarbonate which can be formed at p, T-conditions prevalent in the Earth’s transition zone Article Swipe

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Dominik Spahr , Lkhamsuren Bayarjargal , Maxim Bykov , Lukas Brüning , Pascal L. Jurzick , Yu Wang , Victor Milman , Keith Refson , Mohamed Mézouar , Björn Winkler ·

YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.1038/s42004-024-01293-1

Understanding the fate of subducted carbonates is a prerequisite for the elucidation of the Earth’s deep carbon cycle. Here we show that the concomitant presence of Ca[CO 3 ] with CO 2 in a subducting slab very likely results in the formation of an anhydrous mixed pyrocarbonate, $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$ , at moderate pressure ( ≈ 20 GPa) and temperature ( ≈ 1500 K) conditions. We show that at these conditions $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$ can be obtained by reacting Ca[CO 3 ] with CO 2 in a laser-heated diamond anvil cell. The crystal structure was obtained from synchrotron-based single crystal X-ray diffraction data. Density Functional Perturbation Theory calculations in combination with experimental Raman spectroscopy results unambiguously confirmed the structural model. The crystal structure of $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$ is characterized by the presence of $${\left[{{{{\rm{CO}}}}}_{3}\right]}^{2-}$$ - and $${\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}^{2-}$$ -groups. The results presented here imply that the formation of $${{{{\rm{Ca}}}}}_{3}{\left[{{{{\rm{C}}}}}_{2}{{{{\rm{O}}}}}_{5}\right]}_{2}\left[{{{{\rm{CO}}}}}_{3}\right]$$

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Landing Page: https://doi.org/10.1038/s42004-024-01293-1
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Title: Ca3[C2O5]2[CO3] is a pyrocarbonate which can be formed at p, T-conditions prevalent in the Earth’s transition zone

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Authors: Dominik Spahr, Lkhamsuren Bayarjargal, Maxim Bykov, Lukas Brüning, Pascal L. Jurzick, Yu Wang, Victor Milman, Keith Refson, Mohamed Mézouar, Björn Winkler

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