Abstract
Experimental studies on the phase transition and thermoelastic behavior of barite-group minerals are crucial to understand the recycle of sulfur in Earth’s interior. Here, we present a high-pressure and high-temperature (high P–T) study on two barite-group minerals—barite (BaSO4) and celestite (SrSO4) up to ~ 59.5 GPa 700 K and ~ 22.2 GPa, 700 K, respectively, using in situ synchrotron-based X-ray diffraction (XRD) combined with diamond anvil cells (DACs). Our results show that BaSO4 undergoes a pressure-induced phase transition from Pbnm to P212121 at ~ 20.3 GPa, which is different from the previous results. Upon decompression, the high-pressure phase of BaSO4 transforms back into its initial structure, which indicates a reversible phase transition. However, no phase transitions have been detected in SrSO4 over the experimental P–T range. In addition, fitting a third-order Birch–Murnaghan equation of state to the pressure–volume data yields the bulk moduli and their pressure derivatives of BaSO4 and SrSO4. Simultaneously, the thermal expansion coefficients of BaSO4 and SrSO4 are also obtained, by fitting the temperature-volume data to the Fei-type thermal equation of state. Furthermore, the compositional effects on the phase transformation and thermoelastic behavior of barite-group minerals are also discussed, and the results suggest that the bond length of < M–O > (M=Ba, Sr, Pb) is an important factor that causes the phase transition pressure of SrSO4 to be the largest, PbSO4 is the second, and BaSO4 is the lowest.
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References
Angel RJ (2000) Equations of state. Rev Miner Geochem 41:35–59. https://doi.org/10.2138/rmg.2000.41.2
Antao SM (2012) Structural trends for celestite (SrSO4), anglesite (PbSO4), and barite (BaSO4): confirmation of expected variations within the SO4 groups. Am Miner 97:661–665. https://doi.org/10.2138/am.2012.3905
Birch F (1947) Finite elastic strain of cubic crystals. Phys Rev 71:809–824. https://doi.org/10.1103/PhysRev.71.809
Borg IY, Smith DK (1975) A high pressure polymorph of CaSO4. Contrib Miner Petrol 50:127–133. https://doi.org/10.1007/BF00373332
Canil D, Fellows SA (2017) Sulphide–sulphate stability and melting in subducted sediment and its role in arc mantle redox and chalcophile cycling in space and time. Earth Planet Sci Lett 470:73–86. https://doi.org/10.1016/j.epsl.2017.04.028
Chen YH, Yu SC, Huang E, Lee PL (2010) Raman spectroscopy and X-ray diffraction studies on celestite. Phys B Condens Matter 405:4386–4388. https://doi.org/10.1016/j.physb.2010.08.001
Crichton WA, Parise JB, Antao SM, Grzechnik A (2005) Evidence for monazite-, barite-, and AgMnO4 (distorted barite)-type structures of CaSO4 at high pressure and temperature. Am Miner 90:22–27. https://doi.org/10.2138/am.2005.1654
Crichton WA, Merlini M, Hanfland M, Muller H (2011) The crystal structure of barite, BaSO4, at high pressure. Am Miner 96:364–367. https://doi.org/10.2138/am.2011.3656
Decker DL, Petersen S, Debray D, Lambert M (1979) Pressure-induced ferroelastic phase transition in Pb3(PO4)2: a neutron-diffraction study. Phys Rev B 19:3552–3555. https://doi.org/10.1103/PhysRevB.19.3552
Evans KA (2012) The redox budget of subduction zones. Earth Sci Rev 113:11–32. https://doi.org/10.1016/j.earscirev.2012.03.003
Fan D, Zhou W, Wei S et al (2010) A simple external resistance heating diamond anvil cell and its application for synchrotron radiation X-ray diffraction. Rev Sci Instrum 81:053903. https://doi.org/10.1063/1.3430069
Fan D, Wei S, Liu J et al (2011) High pressure X-Ray diffraction study of a grossular—andradite solid solution and the bulk modulus variation along this solid solution. Chin Phys Lett 28:076101. https://doi.org/10.1088/0256-307X/28/7/076101
Fan D, Ma M, Wei S et al (2013) In-situ synchrotron powder X-ray diffraction study of vanadinite at room temperature and high pressure. High Temp High Press 42:441–449
Fan D, Xu J, Liu J et al (2014) Thermal equation of state of natural stibnite up to 25.7. High Temp High Press 43:351–359
Fan D, Xu J, Kuang Y et al (2015) Compressibility and equation of state of beryl (Be3Al2Si6O18) by using a diamond anvil cell and in situ synchrotron X-ray diffraction. Phys Chem Miner 42:529–539. https://doi.org/10.1007/s00269-015-0741-1
Fei Y (1995) Thermal expansion. In: Ahrens TJ (ed) Mineral physics & crystallography: a handbook of physical constants. American Geophysical Union, Washington, DC, pp 29–44
Fei Y, Ricolleau A, Frank M et al (2007) Toward an internally consistent pressure scale. Proc Natl Acad Sci 104:9182–9186. https://doi.org/10.1073/pnas.0609013104
Fujii T, Ohfuji H, Inoue T (2016) Phase relation of CaSO4 at high pressure and temperature up to 90 GPa and 2300 K. Phys Chem Miner 43:353–361. https://doi.org/10.1007/s00269-016-0799-4
Garske D, Peacor DR (1965) Refinement of the structure of celestite SrSO4*. Zeitschrift für Krist 121:204–210. https://doi.org/10.1524/zkri.1965.121.2-4.204
Gonzalez-Platas J, Alvaro M, Nestola F, Angel R (2016) EosFit7-GUI: a new graphical user interface for equation of state calculations, analyses and teaching. J Appl Crystallogr 49:1377–1382. https://doi.org/10.1107/S1600576716008050
Gracia L, Beltrán A, Errandonea D, Andrés J (2012) CaSO4 and its pressure-induced phase transitions. A density functional theory study. Inorg Chem 51:1751–1759. https://doi.org/10.1021/ic202056b
Hammersley AP, Svensson SO, Hanfland M et al (1996) Two-dimensional detector software: from real detector to idealised image or two-theta scan. High Press Res 14:235–248. https://doi.org/10.1080/08957959608201408
Hemley RJ, Zha CS, Jephcoat AP et al (1989) X-ray diffraction and equation of state of solid neon to 110 GPa. Phys Rev B 39:11820–11827. https://doi.org/10.1103/PhysRevB.39.11820
Jégo S, Dasgupta R (2013) Fluid-present melting of sulfide-bearing ocean-crust: experimental constraints on the transport of sulfur from subducting slab to mantle wedge. Geochim Cosmochim Acta 110:106–134. https://doi.org/10.1016/j.gca.2013.02.011
Jégo S, Dasgupta R (2014) The fate of sulfur during fluid-present melting of subducting basaltic crust at variable oxygen fugacity. J Petrol 55:1019–1050. https://doi.org/10.1093/petrology/egu016
Kelley KA, Cottrell E (2009) Water and the oxidation state of subduction zone magmas. Science 325:605–607. https://doi.org/10.1126/science.1174156
Kuang Y, Kuang J, Zhao D et al (2017) The high-pressure elastic properties of celestine and the high pressure behavior of barite-type sulphates. High Temp High Press 46:481–495
Larson AC, Von Dreele RB (2004) General structure analysis system (GSAS). Los Alamos Natl Lab LAUR 86–748:1–179
Le Bail A, Duroy H, Fourquet JL (1988) Ab-initio structure determination of LiSbWO6 by X-ray powder diffraction. Mater Res Bull 23:447–452. https://doi.org/10.1016/0025-5408(88)90019-0
Lee PL, Huang E, Yu SC (2003) High-pressure Raman and X-ray studies of barite, BaSO4. High Press Res 23:439–450. https://doi.org/10.1080/0895795031000115439
Lee PL, Huang E, Yu SC, Chen YH (2013) High-pressure raman study on anglesite. World J Condens Matter Phys 03:28–32. https://doi.org/10.4236/wjcmp.2013.31005
Li B, Xu J, Chen W et al (2018) Compressibility and expansivity of anglesite (PbSO4) using in situ synchrotron X-ray diffraction at high-pressure and high-temperature conditions. Phys Chem Miner 45:883–893. https://doi.org/10.1007/s00269-018-0970-1
Liu X, Shieh SR, Fleet ME, Akhmetov A (2008) High-pressure study on lead fluorapatite. Am Miner 93:1581–1584. https://doi.org/10.2138/am.2008.2816
Miyake M, Minato I, Morikawa H, Iwai S (1978) Crystal structures and sulphate force constants of barite, celestite, and anglesite. Am Miner 63:506–510
Mungall JE (2002) Roasting the mantle: Slab melting and the genesis of major Au and Au-rich Cu deposits. Geology 30:915. https://doi.org/10.1130/0091-7613(2002)030%3C0915:RTMSMA%3E2.0.CO;2
Resel R, Oehzelt M, Shimizu K et al (2004) On the phase-transition in anthracene induced by high pressure. Solid State Commun 129:103–106. https://doi.org/10.1016/j.ssc.2003.09.019
Richards JP (2011) Magmatic to hydrothermal metal fluxes in convergent and collided margins. Ore Geol Rev 40:1–26. https://doi.org/10.1016/j.oregeorev.2011.05.006
Santamaría-Pérez D, Gracia L, Garbarino G et al (2011) High-pressure study of the behavior of mineral barite by X-ray diffraction. Phys Rev B 84:054102. https://doi.org/10.1103/PhysRevB.84.054102
Sawada H, Takéuchi Y (1990) The crystal structure of barite, β-BaSO4, at high temperatures. Zeitschrift für Krist Cryst Mater 191:161–171. https://doi.org/10.1524/zkri.1990.191.3-4.161
Shannon RD (1976) Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Crystallogr Sect A 32:751–767. https://doi.org/10.1107/S0567739476001551
Tomkins AG, Evans KA (2015) Separate zones of sulfate and sulfide release from subducted mafic oceanic crust. Earth Planet Sci Lett 428:73–83. https://doi.org/10.1016/j.epsl.2015.07.028
Wang J, Bass JD, Kastura T (2014) Elastic properties of iron-bearing wadsleyite to 17.7 GPa: Implications for mantle mineral models. Phys Earth Planet Inter 228:92–96. https://doi.org/10.1016/j.pepi.2014.01.015
Xia X, Weidner DJ, Zhao H (1998) Equation of state of brucite; single-crystal Brillouin spectroscopy study and polycrystalline pressure-volume-temperature measurement. Am Miner 83:68–74. https://doi.org/10.2138/am-1998-1-207
Zhang J (1999) Room-temperature compressibilities of MnO and CdO: further examination of the role of cation type in bulk modulus systematics. Phys Chem Miner 26:644–648. https://doi.org/10.1007/s002690050229
Zhang J (2009) High-pressure Raman and X-ray studies of barite, BaSO4. High Press Res 23:439–450. https://doi.org/10.1080/0895795031000115439
Acknowledgements
We are grateful to the beamline scientist of BL15U1 of SSRF and 4W2 of BSRF for the technical help. We also acknowledge HYS for the Neon gas-loading assistance. This project was supported by the National Natural Science Foundation of China (Grant nos. 41772043 and 41802043), the Joint Research Fund in Huge Scientific Equipment (U1632112) under cooperative agreement between NSFC and CAS, the Chinese Academy of Sciences “Light of West China” Program (Dawei Fan, 2017), Youth Innovation Promotion Association CAS (Dawei Fan, 2018434), and the CPSF-CAS Joint Foundation for Excellent Postdoctoral Fellows (Grant no. 2017LH014). The high-pressure XRD experiments were performed at the High-Pressure Experiment Station (4W2), Beijing Synchrotron Radiation Facility (BSRF), and the BL15U1 of the Shanghai Synchrotron Radiation Facility (SSRF).
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Ye, Z., Li, B., Chen, W. et al. Phase transition and thermoelastic behavior of barite-group minerals at high-pressure and high-temperature conditions. Phys Chem Minerals 46, 607–621 (2019). https://doi.org/10.1007/s00269-019-01026-0
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DOI: https://doi.org/10.1007/s00269-019-01026-0