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Dense Hydrated Magnesium Carbonate MgCO3·3H2O Phases
Benedito Donizeti Botan-Neto1, David Santamaria-Perez1, Lkhamsuren Bayarjargal2
1Departamento de Física Aplicada-ICMUV, MALTA Consolider Team, Universitat de València, Valencia 46100, Spain.
Inorganic Chemistry
|August 12, 2024
Summary
This study confirms two dense forms of hydrated magnesium carbonate under high pressure. These findings are crucial for understanding Earth's carbon budget and carbon capture storage stability.
Area of Science:
- Geochemistry
- Mineral Physics
- Materials Science
Background:
- Understanding carbonate structural stability is vital for Earth's interior carbon budget modeling.
- Assessing the stability of carbonation products is critical for carbon capture and storage (CCS) technologies.
Purpose of the Study:
- To confirm and characterize the structures of two dense polymorphs of hydrated magnesium carbonate (MgCO3·3H2O).
- To investigate phase transitions and atomic rearrangements under high-pressure conditions.
Main Methods:
- Synchrotron single-crystal X-ray diffraction at 3.1 and 11.6 GPa.
- Raman spectroscopy to study vibrational behavior upon compression.
- Density-functional theory (DFT) calculations to complement experimental data.
Main Results:
- Confirmed the existence of two dense polymorphs of nesquehonite (MgCO3·3H2O).
- Observed phase transitions involving Mg-centered polyhedra distortion and carbonate unit tilting.
- Noted an increase in Mg coordination number from 6 to 7 in the high-pressure phase.
Conclusions:
- The study provides insights into the structural evolution of hydrated magnesium carbonate under pressure.
- Hydrogen bonds play a significant role in the compressibility and polymorphism of this mineral.
- Results contribute to modeling geological processes and CCS stability.
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