[HTML][HTML] CaCO3 phase diagram studied with Raman spectroscopy at pressures up to 50 GPa and high temperatures and DFT modeling

L Bayarjargal, CJ Fruhner, N Schrodt… - Physics of the Earth and …, 2018 - Elsevier
We revise the high pressure, high temperature phase diagram of CaCO 3 using Raman
spectroscopy in conjunction with laser heated diamond anvil cell experiments. We confirm …

Synthesis of calcium orthocarbonate, Ca2CO4-Pnma at PT conditions of Earth's transition zone and lower mantle

J Binck, D Laniel, L Bayarjargal… - American …, 2022 - degruyter.com
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 …

Sr[C2O5] is an Inorganic Pyrocarbonate Salt with [C2O5]2– Complex Anions

D Spahr, J König, L Bayarjargal… - Journal of the …, 2022 - ACS Publications
The synthesis of a novel type of carbonate, namely of the inorganic pyrocarbonate salt Sr
[C2O5], which contains isolated [C2O5] 2–-groups, significantly extends the crystal chemistry …

Fate of Carbonates in the Earth's Mantle (10-136 GPa)

J Gao, X Wu, X Yuan, W Su - Frontiers in Earth Science, 2022 - frontiersin.org
Earth carbon cycle shapes the evolution of our planet and our habitats. As a key region of
carbon cycle, subduction zone acts as a sole channel transporting supracrustal carbonate …

Aragonite-II and CaCO3-VII: New High-Pressure, High-Temperature Polymorphs of CaCO3

PN Gavryushkin, NS Martirosyan… - Crystal Growth & …, 2017 - ACS Publications
The importance for the global carbon cycle, the P–T phase diagram of CaCO3 has been
under extensive investigation since the invention of the high-pressure techniques. However …

Tetrahedrally Coordinated sp3-Hybridized Carbon in Sr2CO4 Orthocarbonate at Ambient Conditions

D Spahr, J Binck, L Bayarjargal, R Luchitskaia… - Inorganic …, 2021 - ACS Publications
We have synthesized the orthocarbonate Sr2CO4, in which carbon is tetrahedrally
coordinated by four oxygen atoms, at moderately high pressures [20 (1) GPa] and high …

Comprehensive density functional theory studies of vibrational spectra of carbonates

YN Zhuravlev, VV Atuchin - Nanomaterials, 2020 - mdpi.com
Within the framework of the density functional theory (DFT) and the hybrid functional B3LYP
by means of the CRYSTAL17 program code, the wavenumbers and intensities of normal …

Sr3[CO4]O Antiperovskite with Tetrahedrally Coordinated sp3-Hybridized Carbon and OSr6 Octahedra

D Spahr, J König, L Bayarjargal… - Inorganic …, 2021 - ACS Publications
We have synthesized the orthocarbonate Sr3 [CO4] O in a laser-heated diamond anvil cell at
20 and 30 GPa by heating to≈ 3000 (300) K. Afterward, we recovered the orthocarbonate …

Synthesis and Structure of Pb[C2O5]: An Inorganic Pyrocarbonate Salt

D Spahr, J König, L Bayarjargal… - Inorganic …, 2022 - ACS Publications
We have synthesized Pb [C2O5], an inorganic pyrocarbonate salt, in a laser-heated
diamond anvil cell (LH-DAC) at 30 GPa by heating a Pb [CO3]+ CO2 mixture to≈ 2000 …

Novel Calcium sp3 Carbonate CaC2O5-I4̅2d May Be a Carbon Host in Earth's Lower Mantle

J König, D Spahr, L Bayarjargal… - ACS Earth and Space …, 2022 - ACS Publications
CaC2O5-I 4̅2 d was obtained by reacting CO2 and CaCO3 at lower Earth mantle
pressures and temperatures ranging between 34 and 45 GPa and between 2000 and 3000 …