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• W3022617963 abstract "Carbonates are the major hosts of carbon on Earth's surface and their fate during subduction needs to be known to understand the deep carbon cycle. Magnesite (${mathrm{MgCO}}_{3}$) is thought to be an important phase participating in deep Earth processes, but its phase stability is still a matter of debate for the conditions prevalent in the lowest part of the mantle and at the core mantle boundary. Here, we have studied the phase relations and stabilities of ${mathrm{MgCO}}_{3}$ at these $P,T$ conditions, using Raman spectroscopy at high pressures ($ensuremath{sim}148phantom{rule{0.16em}{0ex}}mathrm{GPa}$) and after heating to high temperatures ($ensuremath{sim}3600phantom{rule{0.16em}{0ex}}mathrm{K}$) in laser-heated diamond anvil cell experiments. The experimental Raman experiments were supplemented by x-ray powder diffraction data, obtained at a pressure of 110 GPa. Density-functional-theory-based model calculations were used to compute Raman spectra for several ${mathrm{MgCO}}_{3}$ high-pressure polymorphs, thus allowing an unambiguous assignment of Raman modes. By combining the experimental observations with the density-functional-theory results, we constrain the phase stability field of ${mathrm{MgCO}}_{3}$ with respect to the high-pressure polymorph, ${mathrm{MgCO}}_{3}$-II. We further confirm that Fe-free ${mathrm{MgCO}}_{3}$-II is a tetracarbonate with monoclinic symmetry (space group $C2/m$), which is stable over the entire $P,T$ range of the Earth's lowermost mantle geotherm." @default.
• W3022617963 created "2020-05-13" @default.
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• W3022617963 date "2020-05-04" @default.
• W3022617963 modified "2023-10-13" @default.
• W3022617963 title "Phase stabilities of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>MgCO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>MgCO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:math>-II studied by Raman spectroscopy, x-ray diffraction, and density functional theory calculations" @default.
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• W3022617963 doi "https://doi.org/10.1103/physrevmaterials.4.055001" @default.
• W3022617963 hasPublicationYear "2020" @default.
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