High-pressure phase transitions and compressibilities of aragonite-structure carbonates: SrCO3 and BaCO3
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Abstract
The aragonite-structure carbonates—strontianite (SrCO3) and witherite (BaCO3)—were investigated by synchrotron X-ray diffraction combined with diamond anvil cells up to 30 and 15 GPa at room temperature, respectively. Phase transitions in SrCO3 (Pmcn to P21212) and BaCO3 (Pmcn to Pmmn) were observed at 22.2–26.9 and 9.8–11.2 GPa, respectively. Both strontianite and witherite display anisotropic linear compression under pressure, with the c-axis 2–3 times more compressible than the a-axis and b-axis. The obtained second-order Birch–Murnaghan equation of state parameters for strontianite and witherite are V0 = 258.4(3) A3, K0 = 62(1) GPa; and V0 = 304.8(3) A3, K0 = 48(1) GPa, respectively. Based on the current results for strontianite and witherite and previous data for aragonite (CaCO3) and cerussite (PbCO3), the bulk moduli of the aragonite-structure carbonates exhibit a linear correlation with ambient molar volume [KT0 (GPa) = 138 (5) – 2.0 (3) × V0], with V0 in cm3/mol, and the aragonite-structure to post-aragonite-structure phase transition pressures increase with decreasing ionic radius of the cations.
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Research context
OpenAlex topics: High-pressure geophysics and materials · Crystallography and molecular interactions · Calcium Carbonate Crystallization and Inhibition
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References (45)
Show source-provided references
1. Anderson DL, Anderson OL (1970) The bulk modulus-volume relationship for oxides. J Geophys Res 75:3494–350010.1029/JB075i017p03494 ↗
2. Anderson OL, Nafe JE (1965) The bulk modulus-volume relationship for oxide compounds and related geophysical problems. J Geophys Res 70:3951–396310.1029/JZ070i016p03951 ↗
3. Angel RJ (2000) Equations of state. Rev Mineral Geochem 41:35–5910.2138/rmg.2000.41.2 ↗
4. Antao SM, Hassan I (2009) The orthorhombic structure of CaCO3, SrCO3, PbCO3 and BaCO3: linear structural trends. Can Mineral 47:1245–125510.3749/canmin.47.5.1245 ↗
5. Arapan S, Ahuja R (2010) High-pressure phase transformations in carbonates. Phys Rev B 82:18411510.1103/PhysRevB.82.184115 ↗
6. Biellmann C, Gillet P, Guyot F, Peyronneau J, Reynard B (1993) Experimental evidence for carbonate stability in the Earth’s lower mantle. Earth Planet Sci Lett 118:31–4110.1016/0012-821X(93)90157-5 ↗
7. Birch F (1947) Finite elastic strain of cubic crystals. Phys Rev 71:809–92410.1103/PhysRev.71.809 ↗
8. Brenker FE, Vollmer C, Vincze L, Vekemans B, Szymanski A, Jansses K, Szaloki I, Nasdala L, Joswing W, Kaminsky F (2007) Carbonates from the lower part of transition zone or even the lower mantle. Earth Planet Sci Lett 260:1–910.1016/j.epsl.2007.02.038 ↗
9. De Villiers JPR (1971) Crystal structures of aragonite, strontianite, and witherite. Am Mineral 56:758–767
10. Errandonea D, Meng Y, Somayazulu M, Häusermann D (2005) Pressure-induced α → ω transition in titanium metal: a systematic study of the effects of uniaxial stress. Phys B Condens Matter 355:116–12510.1016/j.physb.2004.10.030 ↗
11. Hammersley AP, Svensson SO, Hanfland M, Fitch AN, Häusermann D (1996) Two-dimensional detector to idealized image or twotheta scan. High Press Res 14:235–24510.1080/08957959608201408 ↗
12. Hazen RM (1993) Comparative compressibilities of silicate spinels: anomalous behavior of (Mg, Fe)2SiO4. Science 259:206–20910.1126/science.259.5092.206 ↗
13. Holl CM, Smyth JR, Laustsen HMS, Jacobsen SD, Downs RT (2000) Compression of witherite to 8 GPa and the crystal structure of BaCO3 II. Phys Chem Miner 27:467–47310.1007/s002690000087 ↗
14. Klotz S, Chervin JC, Munsch P, Le Marchand G (2009) Hydrostatic limits of 11 pressure transmitting media. J Phys D Appl Phys 42:07541310.1088/0022-3727/42/7/075413 ↗
15. Lin CC, Liu LG (1997a) Post-aragonite phase transitions in strontianite and cerussite—a high-pressure Raman spectroscopic study. J Phys Chem Solids 58:977–98710.1016/S0022-3697(96)00201-6 ↗
16. Lin CC, Liu LG (1997b) High-pressure Raman spectroscopic study of post-aragonite phase transition in witherite (BaCO3). Eur J Mineral 9:785–79210.1127/ejm/9/4/0785 ↗
17. Mao HK, Xu JA, Bell PM (1986) Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. J Geophys Res [Solid Earth] 91:4673–467610.1029/JB091iB05p04673 ↗
18. Martens R, Rosenhauer M, Gehlen KV (1982) Compressibilities of carbonates. High press Res Geosci. Germany, pp 215–222
19. Martinez I, Zhang J, Reeder RJ (1996) In situ X-ray diffraction of aragonite and dolomite at high pressure and high temperature; evidence for dolomite breakdown to aragonite and magnesite. Am Mineral 81:611–62410.2138/am-1996-5-608 ↗
20. Minch R, Dubrovinsky L, Kurnosov A, Ehm L, Knorr K, Depmeier W (2010) Raman spectroscopic study of PbCO3 at high pressures and temperatures. Phys Chem Miner 37:45–5610.1007/s00269-009-0308-0 ↗
21. Mitchell RH (1997) Carbonate-carbonate immiscibility, neighborite and potassium iron sulphide in Oldoinyo Lengai natrocarbonatite. Mineral Mag 61:779–78910.1180/minmag.1997.061.409.03 ↗
22. Nagle JK (1990) Atomic polarizability and electronegativity. J Am Chem Soc 112:4741–474710.1021/ja00168a019 ↗
23. Nestola F, Nardini L, Pasqual D, Periotto B, Lucchetti G, Miletich R, Belmonte D (2012) Compressibility of NaMnSi2O6: the role of electronic isovalency for the validity of bulk-modulus–volume relationship. Solid State Sci 14:1036–103910.1016/j.solidstatesciences.2012.05.024 ↗
24. Oganov AR, Glass CW, Ono S (2006) High-pressure phases of CaCO3: crystal structure prediction and experiment. Earth Planet Sci Lett 241:95–10310.1016/j.epsl.2005.10.014 ↗
25. Ono S (2007) New high-pressure phases in BaCO3. Phys Chem Miner 34:215–22110.1007/s00269-006-0140-8 ↗
26. Ono S, Kikegawa T, Ohishi Y, Tsuchiya J (2005a) Post-aragonite phase transformation in CaCO3 at 40 GPa. Am Mineral 90:667–67110.2138/am.2005.1610 ↗
27. Ono S, Shirasaka M, Kikegawa T, Ohishi Y (2005b) A new high-pressure phase of strontium carbonate. Phys Chem Miner 32:8–1210.1007/s00269-004-0428-5 ↗
28. Ono S, Kikegawa T, Ohishi Y (2007) High-pressure transition of CaCO3. Am Mineral 92:1246–124910.2138/am.2007.2649 ↗
29. Ono S, Brodholt JP, Price GD (2008) Phase transitions of BaCO3 at high pressures. Mineral Mag 72:659–66510.1180/minmag.2008.072.2.659 ↗
30. Pohl D (1978) Electronic polarizabilities of ions in doubly refracting crystals. Acta Crystallogr A 34:574–57810.1107/S0567739478001217 ↗
31. Ride DR (1998) Handbook of chemistry and physics, 79th edn. CRC Press, Boca Raton
32. Ringwood AE (1975) Composition and petrology of the Earth’s mantle. McGraw-Hill, New York, p 618
33. Santamaría-Pérez D, Gomis O, Sans JA, Ortiz HM, Vegas A, Errandonea D et al (2014) Compressibility systematics of calcite-type borates: an experimental and theoretical structural study on ABO3 (A = Al, Sc, Fe, and In). J Phys Chem C 118:4354–436110.1021/jp4124259 ↗
34. Santillán J, Williams Q (2004) A high pressure X-ray diffraction study of aragonite and the post-aragonite phase transition in CaCO3. Am Mineral 89:1348–135210.2138/am-2004-8-925 ↗
35. Shannon RD (1976) Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Crystallogr A 32:751–76710.1107/S0567739476001551 ↗
36. Shen Y, Kumar RS, Pravica M, Nicol MF (2004) Characteristics of silicon fluid as a pressure transmitting medium in diamond anvil cells. Rev Sci Instrum 75:4450–445410.1063/1.1786355 ↗
37. Siidra OI, Krivovichev SV, Filatov SK (2008) Minerals and synthetic Pb(II) compounds with oxocentered tetrahedra: review and classification. Z Kristallogr 223:114–12510.1524/zkri.2008.0018 ↗
38. Sirdeshmukh DB, Subhadra KG (1986) Bulk modulus-volume relationship for some crystals with a rock salt structure. J Appl Phys 59:276–27710.1063/1.336826 ↗
39. Speer JA (1983) Crystal chemistry and phase relations of orthorhombic carbonates. Rev Mineral Geochem 11:145–190
40. Toby BH (2001) EXPGUI, a graphical user interface for GSAS. J Appl Crystallogr 34:210–21310.1107/S0021889801002242 ↗
41. Townsend JP, Chang YY, Lou X, Merino M, Kirklin SJ, Doak JW, Issa A, Wolverton C, Tkachev NS, Dera P, Jacobsen SD (2013) Stability and equation of state of post-aragonite BaCO3. Phys Chem Miner 40:447–45310.1007/s00269-013-0582-8 ↗
42. Ye Y, Smyth JR, Boni P (2012) Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X-ray diffraction. Am Mineral 97:707–71210.2138/am.2012.3923 ↗
43. Zaoui A, Shahrour I (2010) Molecular dynamics study of high-pressure polymorphs of BaCO3. Phil Mag Lett 90:689–69710.1080/09500839.2010.495357 ↗
44. Zhang J, Reeder RJ (1999) Comparative compressibilities of calcite-structure carbonates: deviations from empirical relations. Am Mineral 84:861–87010.2138/am-1999-5-620 ↗
45. Zhang YF, Liu J, Qin ZX, Lin CL, Xiong L, Li R, Bai LG (2013) A high-pressure study of PbCO3 by X-ray diffraction and Raman spectroscopy. Chin Phys C 37:03800110.1088/1674-1137/37/3/038001 ↗