High-pressure phase transitions in Ca-Mn carbonates (Ca,Mn)CO3 studied by Raman spectroscopy

Shi, Weiguang; Fleet, Michael E.; Shieh, Sean R.

doi:10.2138/am.2012.4116

Cited by 20 publications

(11 citation statements)

References 23 publications

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“…After the MgO 6 regularization, the phase transition is complete 236 and the polyhedra distortion strongly increases with P (σ 2 θ > 10). The present data suggest a 237 pressure range for the dolomite to dolomite-II phase transition from 14 to 17 GPa, quite in 238 agreement with data from Shi et al (2012) regarding (Ca,Mn)CO 3 .…”

Section: Starting Configurations 134 135supporting

confidence: 85%

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Zucchini

Prencipe

Belmonte

et al. 2017

ejm

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Section: Starting Configurations 134 135supporting

confidence: 85%

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Zucchini

Prencipe

Belmonte

et al. 2017

ejm

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“…However, the structure proposed by Ono [2007] does not fit the XRD patterns measured of our study. In a recent study on the (Mn,Ca)CO 3 solid solution, Shi et al [2012] reported an increasing linear shift in the pressure of the transitions CaCO 3 -I ⇒ CaCO 3 -II ⇒ CaCO 3 -III with Mn content and predicted that these phase transitions would take place at 19 and 26 GPa for end-member MnCO 3 . However, the phase observed by in situ XRD between 15 and 35 GPa in the present study is not consistent with the CaCO 3 -II structure [Merrill and Bassett, 1975] but may rather be related to a distortion due to nonhydrostatic conditions.…”

Section: Discussionmentioning

confidence: 99%

Pressure‐induced phase transition in MnCO₃ and its implications on the deep carbon cycle

et al. 2015

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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. These results suggest that high‐pressure metastable phase of calcite may play an important role in carbon storage and transport in the deep Earth.

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“…As abundant CO 2 -bearing minerals, the thermodynamic properties of carbonates are of particular importance. A significant number of Raman studies of the high-pressure behavior of carbonate minerals have been reported, including aragonite, calcite, vaterite, and other high-pressure CaCO 3 polymorphs (Fong and Nicol 1971;Nicol and Ellenson 1972;Salje and Viswanathan 1976;Liu and Mernagh 1990;Hess et al 1991;Kraft et al 1991;Biellmann and Gillet 1992;Gillet et al 1993;Suito et al 2001;Shi et al 2012;Pippinger et al 2015;Koch-Müller et al 2016;Liu et al 2017;Lobanov et al 2017;Maruyama et al 2017;Bayarjargal et al 2018;Farsang et al 2018;Yuan et al 2019), azurite (Xu et al 2015), cerussite Liu 1997c, 1997b;Minch et al 2010b;Zhang et al 2013;Gao et al 2016), dolomite (Kraft et al 1991;Biellmann and Gillet 1992;Gillet et al 1993; Efthimiopoulos et al 2017Efthimiopoulos et al , 2018Farsang et al 2018;, ikaite…”

Section: Introductionmentioning

confidence: 99%

High-pressure and high-temperature vibrational properties and anharmonicity of carbonate minerals up to 6 GPa and 500 °C by Raman spectroscopy

Farsang

Widmer

Redfern

2021

American Mineralogist

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Carbonate minerals play a dominant role in the deep carbon cycle. Determining the high-pressure and high-temperature vibrational properties of carbonates is essential to understand their anharmonicity and their thermodynamic properties under crustal and upper mantle conditions. Building on our previous study on aragonite, calcite (both CaCO 3 polymorphs), dolomite [CaMg(CO 3) 2 ], magnesite (MgCO 3), rhodochrosite (MnCO 3), and siderite (FeCO 3) (Farsang et al. 2018), we have measured pressure-and temperature-induced frequency shifts of Ramanactive vibrational modes up to 6 GPa and 500 ˚C for all naturally occurring aragonite-and calcite-group carbonate minerals, including cerussite (PbCO 3), strontianite (SrCO 3), witherite (BaCO 3), gaspeite (NiCO 3), otavite (CdCO 3), smithsonite (ZnCO 3), and spherocobaltite (CoCO 3). Our Raman and XRD measurements show that cerussite decomposes to a mixture of This is the peer-reviewed, final accepted version for American Mineralogist, published by the Mineralogical Society of America. The published version is subject to change. Cite as Authors (Year) Title. American Mineralogist, in press.

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High-pressure phase transitions in Ca-Mn carbonates (Ca,Mn)CO3 studied by Raman spectroscopy

Cited by 20 publications

References 23 publications

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Pressure‐induced phase transition in MnCO₃ and its implications on the deep carbon cycle

High-pressure and high-temperature vibrational properties and anharmonicity of carbonate minerals up to 6 GPa and 500 °C by Raman spectroscopy

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High-pressure phase transitions in Ca-Mn carbonates (Ca,Mn)CO3 studied by Raman spectroscopy

Cited by 20 publications

References 23 publications

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Ab initio study of the dolomite to dolomite-II high-pressure phase transition

Pressure‐induced phase transition in MnCO3 and its implications on the deep carbon cycle

High-pressure and high-temperature vibrational properties and anharmonicity of carbonate minerals up to 6 GPa and 500 °C by Raman spectroscopy

Contact Info

Product

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About

Pressure‐induced phase transition in MnCO₃ and its implications on the deep carbon cycle