Effects of hydrostaticity on the structural stability of carbonates at lower mantle pressures: the case study of dolomite

Efthimiopoulos, Ilias; Germer, Marisa; Jahn, Sandro; Harms, Martin; Reichmann, H. J.; Speziale, S.; Schade, U.; Sieber, Melanie J.; Koch‐Müller, Monika

doi:10.1080/08957959.2018.1558223

Cited by 12 publications

(27 citation statements)

References 47 publications

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“…The lattice distortions could significantly affect the chemical bonding environments in MgCO 3 as well as its structural stability with increasing pressure. This result sheds new light on the stability of carbonates under quasi-hydrostatic conditions, indicating that the effect of hydrostaticity shall be taken into account for modeling the deep-carbon cycle (Efthimiopoulos et al, 2018).…”

Section: Introductionmentioning

confidence: 78%

“…GPa in this study ( Figure 1). It was previously reported that the v 1 mode of dolomite split into four separate Raman peaks using Ne as a PTM at ~39 GPa, whereas only one peak was observed within the same Raman region when argon was used as a PTM (Efthimiopoulos et al, 2018). Fiquet et al (2002) carried out synchrotron XRD experiments on magnesite MgCO 3 up to 83…”

Section: Lattice Distortion Of Mgco 3 At High Pressurementioning

confidence: 99%

“…The splitting of those modes was absent in the infrared spectroscopic measurements on MgCO 3 . The clue may be the use of different PTMs, He versus KBr/Ar/ME, in those studies as described above in the Raman spectra of magnesite and dolomite (Efthimiopoulos et al, 2018).…”

Section: Lattice Distortion Of Mgco 3 At High Pressurementioning

confidence: 99%

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Raman signatures of the distortion and stability of MgCO3 to 75 GPa

Zhao

et al. 2021

American Mineralogist

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Knowledge of the stability of carbonate minerals at high pressure is essential to better understand carbon cycle deep inside the Earth. The evolution of Raman modes of carbonates with increasing pressure can straightforwardly illustrate lattice softening and stiffening. Here, we reported Raman modes of natural magnesite MgCO 3 up to 75 GPa at room temperature using helium as a pressure-transmitting medium (PTM). Our Raman spectra of MgCO 3 showed the splitting of T and ν 4 modes initiates at approximate 30 and 50 GPa, respectively, which could be associated with its lattice distortions The MgCO 3 structure was referred to as MgCO 3-Ⅰb at 30-50 GPa and as MgCO 3-Ⅰc at 50-75 GPa. Intriguingly, at 75.4 GPa some new vibrational signatures appeared around 250-350 and ~800 cm-1. The emergence of those Raman bands in MgCO 3 under relatively hydrostatic conditions is consistent with the onset pressure of structural transition to MgCO 3-Ⅱ reported by theoretical predictions and high pressure-temperature experiments. This study suggests that hydrostatic conditions may significantly affect the structural evolution of MgCO 3 with increasing pressure, which shall be considered for modeling the carbon cycle in the Earth's lower mantle.

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Section: Introductionmentioning

confidence: 78%

Section: Lattice Distortion Of Mgco 3 At High Pressurementioning

confidence: 99%

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Raman signatures of the distortion and stability of MgCO3 to 75 GPa

Zhao

et al. 2021

American Mineralogist

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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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“…In [ 65 ], studies of the infrared spectra of natural iron-free dolomite were carried out. A combined study of infrared absorption and Raman scattering on a natural dolomite sample CaMg 0.98 Fe 0.02 (CO 3 ) 2 was performed [ 66 ].…”

Section: Introductionmentioning

confidence: 99%

Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates

Zhuravlev

Atuchin

2020

Nanomaterials

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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 oscillations of MgCO3, CaCO3, ZnCO3, CdCO3 in the structure of calcite; CaMg(CO3)2, CdMg(CO3)2, CaMn(CO3)2, CaZn(CO3)2 in the structure of dolomite; BaMg(CO3)2 in the structure of the norsethite type; and CaCO3, SrCO3, BaCO3, and PbCO3 in the structure of aragonite were calculated. Infrared absorption and Raman spectra were compared with the known experimental data of synthetic and natural crystals. For lattice and intramolecular modes, linear dependences on the radius and mass of the metal cation are established. The obtained dependences have predictive power and can be used to study solid carbonate solutions. For trigonal and orthorhombic carbonates, the linear dependence of wavenumbers on the cation radius RM (or M–O distance) is established for the infrared in-plane bending mode: 786.2–65.88·RM and Raman in-plane stretching mode: 768.5–53.24·RM, with a correlation coefficient of 0.87.

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Effects of hydrostaticity on the structural stability of carbonates at lower mantle pressures: the case study of dolomite

Cited by 12 publications

References 47 publications

Raman signatures of the distortion and stability of MgCO3 to 75 GPa

Raman signatures of the distortion and stability of MgCO3 to 75 GPa

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

Comprehensive Density Functional Theory Studies of Vibrational Spectra of Carbonates

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