High-pressure study of the behavior of mineral barite by X-ray diffraction

Abstract

In this paper, we report the angle-dispersive x-ray diffraction data of barite, BaSO 4, measured in a diamond-anvil cell up to a pressure of 48 GPa, using three different fluid pressure-transmitting media (methanol-ethanol mixture, silicone oil, and He). Our results show that BaSO 4 exhibits a phase transition at pressures that range from 15 to 27 GPa, depending on the pressure media used. This indicates that nonhydrostatic stresses have a crucial role in the high-pressure behavior of this compound. The new high-pressure (HP) phase has been solved and refined from powder data, having an orthorhombic P2 12 12 1 structure. The pressure dependence of the structural parameters of both room- and HP phases of BaSO 4 is also discussed in light of our theoretical first-principles total-energy calculations. Finally, a comparison between the different equations of state obtained in our experiments is reported. © 2011 American Physical Society.Financial support from the Spanish Consolider Ingenio 2010 Program (Project No. CDS2007-00045) is acknowledged. The work was also supported by Spanish MICCIN under Projects No. CTQ2009-14596-C02-01 and No. MAT2010-21270-C04-01 as well as from Comunidad de Madrid and European Social Fund: S2009/PPQ-1551 4161893 (QUIMAPRES). The ESRF is acknowledged for provision of beamtime.Santamaría-Pérez, D.; Gracia, L.; Garbarino, G.; Beltrán, A.; Chuliá-Jordán, R.; Gomis Hilario, O.; Errandonea, D.... (2011). High-pressure study of the behavior of mineral barite by X-ray diffraction. Physical Review B. 84:54102-1-54102-8. https://doi.org/10.1103/PhysRevB.84.054102S54102-154102-884RUBIN, A. E. (1997). Mineralogy of meteorite groups. Meteoritics & Planetary Science, 32(2), 231-247. doi:10.1111/j.1945-5100.1997.tb01262.xVegas, A. (2000). Cations in Inorganic Solids. 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