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

D. Santamaría-Pérez, L. Gracia, G. Garbarino, A. Beltrán, R. Chuliá-Jordán, O. Gomis, D. Errandonea, Ch. Ferrer-Roca, D. Martínez-García, and A. Segura
Phys. Rev. B 84, 054102 – Published 2 August 2011

Abstract

In this paper, we report the angle-dispersive x-ray diffraction data of barite, BaSO4, 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 BaSO4 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 P212121 structure. The pressure dependence of the structural parameters of both room- and HP phases of BaSO4 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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  • Received 22 March 2011

DOI:https://doi.org/10.1103/PhysRevB.84.054102

©2011 American Physical Society

Authors & Affiliations

D. Santamaría-Pérez1,*,†, L. Gracia2,†, G. Garbarino3, A. Beltrán2,†, R. Chuliá-Jordán1, O. Gomis4,†, D. Errandonea5,†, Ch. Ferrer-Roca5,†, D. Martínez-García5,†, and A. Segura5,†

  • 1Departamento de Química-Física I, Universidad Complutense de Madrid, Avda. Complutense s/n, 28040, Madrid, Spain
  • 2Departament Química Física i Analítica, Universitat Jaume I, 12071 Castelló de la Plana, Spain
  • 3European Synchrotron Radiation Facility, 6 Rue Jules Horowitz, BP 220, 38043 Grenoble Cedex, France
  • 4MALTA Consolider Team, Centro de Tecnologías Físicas: Acustica, Materiales y Astrofisica, Universitat Politècnica de València, Camí de Vera s/n, 46022 Valencia, Spain
  • 5Departamento de Física Aplicada-ICMUV, Universidad de Valencia, Edificio de Investigación, C/Dr. Moliner 50, 46100 Burjassot, Valencia, Spain

  • *Corresponding author: dsantamaria@quim.ucm.es
  • MALTA Consolider Team

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Issue

Vol. 84, Iss. 5 — 1 August 2011

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