Journal
PHYSICAL REVIEW B
Volume 84, Issue 5, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.054102
Keywords
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Funding
- Spanish Consolider Ingenio [CDS2007-00045]
- Spanish MICCIN [CTQ2009-14596-C02-01, MAT2010-21270-C04-01]
- Comunidad de Madrid
- European Social Fund [S2009/PPQ-1551 4161893 (QUIMAPRES)]
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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(1)2(1)2(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.
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