Pressure-induced phase transition in MnCO3 and its implications on the deep carbon cycle
Abstract
The high–pressure behavior of manganese–rich carbonate, rhodochrosite, has been characterized up to 62 GPa by synchrotron–based midinfrared spectroscopy and X–ray diffraction. Modifications in both the infrared spectra and the X–ray diffraction patterns were observed above ~35 GPa, indicating the presence of a high–pressure phase transition at these pressures. We found that rhodochrosite adopts a structure close to CaCO3–VI with a triclinic unit cell (a = 2.87 Å, b = 4.83 Å, c = 5.49 Å, α = 99.86°, β = 94.95°, and γ = 90.95° at 62 GPa). Using first–principles calculations based on density functional theory, we confirmed these observations and assigned modes in the new infrared signature of the high–pressure phase. Furthermore, these results suggest that high–pressure metastable phase of calcite may play an important role in carbon storage and transport in the deep Earth.
- Authors:
-
- Stanford Univ., CA (United States); CNRS, Grenoble (France)
- Carnegie Inst. of Washington, Washington, DC (United States)
- Sorbonne Univ.-UPMC Univ. Paris 6, Paris (France)
- Stanford Univ., CA (United States); SLAC National Accelerator Lab., Menlo Park, CA (United States)
- Publication Date:
- Research Org.:
- Brookhaven National Laboratory (BNL), Upton, NY (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); COMPRES, the Consortium for Materials Properties Research in Earth Sciences; National Science Foundation (NSF); USDOE National Nuclear Security Administration (NNSA); GENCI‐IDRIS
- OSTI Identifier:
- 1354492
- Report Number(s):
- BNL-113009-2016-JA
Journal ID: ISSN 2169-9313
- Grant/Contract Number:
- SC00112704; EAR 11–57758; FC03‐03N00144; AC02‐98CH10886; AC02‐05CH11231; EAR‐1141929; 2014‐i2014041519
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Geophysical Research. Solid Earth
- Additional Journal Information:
- Journal Volume: 120; Journal Issue: 6; Journal ID: ISSN 2169-9313
- Publisher:
- American Geophysical Union
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 58 GEOSCIENCES; carbonates; infrared spectroscopy; high pressure; deep carbon cycle
Citation Formats
Boulard, Eglantine, Goncharov, Alexander F., Blanchard, Marc, and L. Mao, Wendy. Pressure-induced phase transition in MnCO3 and its implications on the deep carbon cycle. United States: N. p., 2015.
Web. doi:10.1002/2015JB011901.
Boulard, Eglantine, Goncharov, Alexander F., Blanchard, Marc, & L. Mao, Wendy. Pressure-induced phase transition in MnCO3 and its implications on the deep carbon cycle. United States. https://doi.org/10.1002/2015JB011901
Boulard, Eglantine, Goncharov, Alexander F., Blanchard, Marc, and L. Mao, Wendy. Tue .
"Pressure-induced phase transition in MnCO3 and its implications on the deep carbon cycle". United States. https://doi.org/10.1002/2015JB011901. https://www.osti.gov/servlets/purl/1354492.
@article{osti_1354492,
title = {Pressure-induced phase transition in MnCO3 and its implications on the deep carbon cycle},
author = {Boulard, Eglantine and Goncharov, Alexander F. and Blanchard, Marc and L. Mao, Wendy},
abstractNote = {The high–pressure behavior of manganese–rich carbonate, rhodochrosite, has been characterized up to 62 GPa by synchrotron–based midinfrared spectroscopy and X–ray diffraction. Modifications in both the infrared spectra and the X–ray diffraction patterns were observed above ~35 GPa, indicating the presence of a high–pressure phase transition at these pressures. We found that rhodochrosite adopts a structure close to CaCO3–VI with a triclinic unit cell (a = 2.87 Å, b = 4.83 Å, c = 5.49 Å, α = 99.86°, β = 94.95°, and γ = 90.95° at 62 GPa). Using first–principles calculations based on density functional theory, we confirmed these observations and assigned modes in the new infrared signature of the high–pressure phase. Furthermore, these results suggest that high–pressure metastable phase of calcite may play an important role in carbon storage and transport in the deep Earth.},
doi = {10.1002/2015JB011901},
journal = {Journal of Geophysical Research. Solid Earth},
number = 6,
volume = 120,
place = {United States},
year = {Tue May 12 00:00:00 EDT 2015},
month = {Tue May 12 00:00:00 EDT 2015}
}
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Works referencing / citing this record:
Phase Transition and vibration properties of MnCO 3 at high pressure and high-temperature by Raman spectroscopy
journal, May 2018
- Zhao, Chaoshuai; Li, Heping; Jiang, Jianjun
- High Pressure Research, Vol. 38, Issue 3
Phase Transition and vibration properties of MnCO3 at high pressure and high-temperature by Raman spectroscopy
text, January 2018
- Zhao, Chaoshuai; Li, Heping; Jiang, Jianjun
- Taylor & Francis