Phase transition and thermoelastic behavior of barite-group minerals at high-pressure and high-temperature conditions

Ye, Zhilin; Li, Bo; Chen, Wei; Tang, Ruilian; Huang, Shijie; Xu, Jingui; Fan, Dongrui; Zhou, Wenge; Ma, Maining; Xie, Hui

doi:10.1007/s00269-019-01026-0

Cited by 8 publications

(27 citation statements)

References 38 publications

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“…The results of this study and recent high pressure studies of barite and celestine [36,37] also allow for the determination of the isobaric and isothermal mode Grüneisen parameters and anharmonicity parameters. The calculations show that the M-O modes in barite and celestine exhibit much higher values of both mode Grüneisen parameters and anharmonicity than the SO 4 tetrahedra.…”

Section: Discussionmentioning

confidence: 70%

“…The volumetric thermal expansion coefficients decrease within an increasing ionic radius (1.44 Å for Sr 2+ and 1.61 Å for Ba 2+ ) and the corresponding average M-O distances for SrSO 4 and BaSO 4 are 2.827 Å and 2.953 Å, respectively [19]. Therefore, the axial thermal expansion along the a-axis of SrSO 4 is larger than that of BaSO 4 , while the corresponding axial thermal expansion along the c-axis of BaSO 4 is smaller than that of SrSO 4 [36,37]. This results in the axial thermal expansion of BaSO 4 and SrSO 4 both being slightly anisotropic.…”

Section: Mode Grüneisen Parameters and Intrinsic Anharmonicity For Barite And Celestinementioning

confidence: 94%

“…The observed ν 4 bands were all assigned to the stretching and bending of the S-O bonds and appeared less sensitive to changes of Ba-O distances. Ye et al [37] reported that the axial thermal expansion coefficients of BaSO 4 are 1.18 × 10 −5 K −1 , 1.37 × 10 −5 K −1 , and 1.67 × 10 −5 K −1 along a-, b-, and c-axes, respectively. Therefore, the behavior of the ν 4 bands may be due to vibrational restrictions arising from the lower thermal expansion along the a-axis and b-axis.…”

Section: Barite Temperature Dependencementioning

confidence: 99%

“…In celestine, the small Sr 2+ cation forms a short average Sr-O distance, which results in the celestine structure being more distorted than the barite structure [19]. Furthermore, the results of Ye et al [37] also inferred that bond length may be a major factor affecting the volumetric thermal expansion of barite-group minerals. The volumetric thermal expansion coefficients decrease within an increasing ionic radius (1.44 Å for Sr 2+ and 1.61 Å for Ba 2+ ) and the corresponding average M-O distances for SrSO 4 and BaSO 4 are 2.827 Å and 2.953 Å, respectively [19].…”

Section: Mode Grüneisen Parameters and Intrinsic Anharmonicity For Barite And Celestinementioning

confidence: 99%

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Raman Study of Barite and Celestine at Various Temperatures

Zhou

Mernagh

et al. 2020

Minerals

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The Raman spectra of barite and celestine were recorded from 25 to 600 °C at ambient pressure and both minerals were stable over the entire temperature range. Most of the Raman bands of barite decreased in wavenumber with increasing temperature with the exception of the ν2 modes and the ν4 band at 616 cm−1, which did not exhibit a significant temperature dependence. These vibrations may be constrained by the lower thermal expansion along the a-axis and b-axis of barite. Similar to barite, most of the Raman bands of celestine also decreased in wavenumber with increasing temperature, with the exception of the ν2 modes and the ν4 band at 622 cm−1, which showed very little variation with increasing temperature. Variations of Raman shift as a function of temperature and FWHM (full width at half maximum) as a function of Raman shift for the main, ν1 modes of barite and celestine show that both minerals have almost identical linear trends with a slope of −0.02 cm−1/°C and −0.5, respectively, which allows for the prediction of Raman shifts and FWHM up to much higher temperatures. The calculated isobaric and isothermal mode Grüneisen parameters and the anharmonicity parameters show that the M–O modes (M = Ba2+ and Sr2+) in barite and celestine exhibit much higher values of both mode Grüneisen parameters and anharmonicity than the SO4 tetrahedra. This indicates that the S–O distances and S–O–S angles are less sensitive to pressure and temperature increase than the M–O distances in the structure. Furthermore, the generally higher anharmonicity in celestine is due to the smaller size of the Sr2+ cation, which causes the celestine structure to be more distorted than the barite structure.

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Section: Discussionmentioning

confidence: 70%

Section: Mode Grüneisen Parameters and Intrinsic Anharmonicity For Barite And Celestinementioning

confidence: 94%

Section: Barite Temperature Dependencementioning

confidence: 99%

Section: Mode Grüneisen Parameters and Intrinsic Anharmonicity For Barite And Celestinementioning

confidence: 99%

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Raman Study of Barite and Celestine at Various Temperatures

Zhou

Mernagh

et al. 2020

Minerals

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“…This is the main reason for the average 2<3<1~5<4 and 2<3~1=5<4 variation behaviors (Tables 4 and 7, respectively). In addition, the samples 3 and 5 have larger expansion of the b 0 axis, reaching values over even the sample 1; other possible interpretation is that the sample 1 was formed at a higher pressure by comparing to the samples 3 and 5, because this axis is the most compressible (Kuang et al 2017;Ye et al 2019). Accordingly, we strongly believe that this argument is su cient evidence, supporting the interpretation that the formation temperature is the primary cause, whereas different inserted cations into the structure should be interpreted as a secondary factor for the unit-cell parameters variations of celestine.…”

Section: Disagreements Between the Wds And The Xrpd Resultsmentioning

confidence: 99%

Characterization, axial anisotropy and formation conditions of celestine minerals from the Jabal Eghei (Nuqay) volcanic province (southeastern edge of the Sirt Basin, southern Libya)

Tančić¹,

Milošević

Spahić³

et al. 2022

Preprint

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Five celestine crystals, sampled from the surface at the Miocene to Pliocene Jabal Eghei (Nuqay) volcanic province (southern Libya), are characterized by applying the combination of the SEM-WDS, XRPD and IR methods; and analyzed for their color variations and minerogenesis. Three samples have greenish-blue to blue (480.4−482.5 nm), whereas the other two samples are of blue-green color (cyan; 489.1−494.1 nm). The color purity is in the 1.36–7.16 range. Their chemical composition is mutually similar, fitting into the celestine near-end members, in which exclusively 1.6–4.1 at. % of Sr2 + contents was substituted by Pb2+ (0.7–0.9 at. %), Ba2+ (0.5–0.7 at. %) and Ca2+ (0.2–0.8 at. %); including the vacancies (1.0−1.9 at. %; only in three samples). The resulting unit-cell parameters have the following ranges: a0 = 8.3578(9)−8.3705(6) Å; b0 = 5.3510(5)−5.3568(4) Å; c0 = 6.8683(7)−6.8767(2) Å and V0 = 307.17(5)−308.34(4) Å3. The XRPD and IR results are mainly in accordance with the SEM-WDS analyses, having higher mutual correlativity. However, a few discrepancies among the results are observed, further yielding several possible interpretations. The overall results show that discrepancies were primarily induced by a slight unit-cell axial anisotropy, occurring as a consequence of their thermal expansion. Essentially, the investigated Sr-bearing celestines were formed as a secondary volcanic system, emplaced over the gypsum and/or anhydrite minerals, at ~ 368−430K (~ 95–157 oC) temperature range, in the ambient pressure conditions. The study further shows that the investigated celestine minerals are likely formed at a slightly elevated temperature and pressure subsurface environment, reaching over 250 bars.

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