High-pressure study of azurite Cu3(CO3)2(OH)2 by synchrotron radiation X-ray diffraction and Raman spectroscopy

Xu, Jingui; Kuang, Yunqian; Zhang, Bo; Liu, Yonggang; Fan, Dongrui; Zhou, Wenge; Xie, Hui

doi:10.1007/s00269-015-0764-7

Cited by 11 publications

(4 citation statements)

References 72 publications

(92 reference statements)

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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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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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“…Small circles include data from [48] and [49]. Large purple star is the value for bastnäsite-(La) measured in this study (2M/Pρ = 12.60 cm 3 /mol, K o = 105 GPa), large orange diamonds are carbonates from [49], and green triangles are malachite and azurite from [50,51]. Dark gray line is the oxide trend, black line is the sulfide, selenide, and telluride trend, light gray line is the fluorite trend, medium gray line is the alkali-halide trend, and orange line is proposed carbonate trend.…”

Section: Discussionmentioning

confidence: 85%

“…Anderson and Nafe [48] found that when comparing many compounds' bulk moduli versus their specific ionic volumes, multiple trends emerged. Figure 12 displays their data, with additional data for carbonate minerals from Knittle [49], Merlini [50], and Xu [51]. Anderson and Nafe [48] identified a sulfide-selenide-telluride trend, an oxide trend, a fluorite trend, and an alkali-halide trend.…”

Section: Discussionmentioning

confidence: 99%

Thermal Analysis, Compressibility, and Decomposition of Synthetic Bastnäsite-(La) to Lanthanum Oxyfluoride

et al. 2020

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Understanding basic material properties of rare earth element (REE) bearing minerals such as their phase stability and equations of state can assist in understanding how economically viable deposits might form. Bastnäsite is the most commonly mined REE bearing mineral. We synthesized the lanthanum-fluoride end member, bastnäsite-(La) (LaCO3F), and investigated its thermal behavior and decomposition products from 298 K to 1173 K under ambient pressure conditions through thermogravimetric analysis, differential scanning calorimetry, evolved gas analysis, and high temperature powder X-ray diffraction. We also investigated the compressibility of bastnäsite-(La) via single crystal X-ray diffraction in diamond anvil cells at an ambient temperature up to 11.3 GPa and from 4.9 GPa to 7.7 GPa up to 673 K. At ambient pressure, bastnäsite-(La) was stable up to 598 K in air, where it decomposed into CO2 and tetragonal γ-LaOF. Above 948 K, cubic α-LaOF is stable. High temperature X-ray diffraction data were used to fit the Fei thermal equation of state and the thermal expansion coefficient α298 for all three materials. Bastnäsite-(La) was fit from 298 K to 723 K with V0 = 439.82 Å3, α298 = 4.32 × 10−5 K−1, a0 = −1.68 × 10−5 K−1, a1 = 8.34 × 10−8 K−1, and a2 = 3.126 K−1. Tetragonal γ-LaOF was fit from 723 K to 948 K with V0 = 96.51 Å3, α298 = 2.95×10−4 K−1, a0 = −2.41×10−5 K−1, a1 = 2.42×10−7 K−1, and a2 = 41.147 K−1. Cubic α-LaOF was fit from 973 K to 1123 K with V0 = 190.71 Å3, α298 = −1.12×10−5 K−1, a0 = 2.36×10−4 K−1, a1 = −1.73 × 10−7 K−1, and a2 = −17.362 K−1. An ambient temperature third order Birch–Murnaghan equation of state was fit with V0 = 439.82 Å3, K0 = 105 GPa, and K’ = 5.58.

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“…Thus, numerous laboratory structural studies of simple and double carbonates at HP-HT have been reported in the last two decades [2][3][4][5][6][7][8][9][10][11][12][13][14]. The investigation of the HP-HT structural behavior of carbonate minerals bearing additional anion groups such as [PO 4 ] 3− in phosphate-carbonates [15], [SiO 4 ] 4− in silicate-carbonates [16][17][18] or [OH] − in basic carbonates [19][20][21] is, however, rather limited. In particular, the understanding of the effect of hydroxyl groups on the HP properties of carbonates has direct implications in geophysics, as [OH] − released from hydrous minerals impacts decarbonation, dissolution and phase relations of carbonate minerals [22].…”

Section: Introductionmentioning

confidence: 99%

High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral

et al. 2023

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We report on high-pressure angle-dispersive synchrotron X-ray diffraction data of a natural Zn3.78(2)Cu1.22(2)(CO3)2(OH)6 aurichalcite mineral up to 7.6 GPa and ab initio total energy calculations of the aurichalcite structure with three different Zn-Cu stoichiometries (Zn:Cu ratios = 10:0, 8:2 and 6:4). A monoclinic-to-triclinic displacive second-order phase transition was found experimentally at 3 GPa. The experimental bulk modulus of the initial P21/m aurichalcite is B0 = 66(2) GPa, with a first-pressure derivative of B0′ = 9(2). A comparison with other basic copper and zinc carbonates shows that this B0 value is considerably larger than those of malachite and azurite. This relative incompressibility occurs despite the fact that aurichalcite features a layered structure due to the number of directed hydrogen bonds between carbonate groups and the cation-centered oxygen polyhedra forming complex sheets. The existence of different bond types and polyhedral compressibilities entails a certain anisotropic compression, with axial compressibilities κa0 = 3.79(5)·10−3 GPa−1, κb0 = 5.44(9)·10−3 GPa−1 and κc0 = 4.61(9)·10−3 GPa−1. Additional density-functional theory calculations on the C2/m hydrozincite-type structure with different Zn:Cu compositional ratios shows that the aurichalcite structure is energetically more stable than the hydrozincite one for compositions of Zn:Cu = 10:0, 8:2 and 6:4 at room pressure. The pure Zn aurichalcite phase, however, was predicted to transform into hydrozincite at 18 GPa, which suggests that the experimentally observed hydrozincite structure is a metastable phase.

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High-pressure study of azurite Cu3(CO3)2(OH)2 by synchrotron radiation X-ray diffraction and Raman spectroscopy

Cited by 11 publications

References 72 publications

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

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

Thermal Analysis, Compressibility, and Decomposition of Synthetic Bastnäsite-(La) to Lanthanum Oxyfluoride

High-Pressure Experimental and DFT Structural Studies of Aurichalcite Mineral

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