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Hydrogen bond effects on compressional behavior of isotypic minerals: high-pressure polymorphism of cristobalite-like Be(OH)2

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Abstract

Three isotypic crystals, SiO2 (α-cristobalite), ε-Zn(OH)2 (wülfingite), and Be(OH)2 (β-behoite), with topologically identical frameworks of corner-connected tetrahedra, undergo displacive compression-driven phase transitions at similar pressures (1.5–2.0 GPa), but each transition is characterized by a different mechanism resulting in different structural modifications. In this study, we report the crystal structure of the high-pressure γ-phase of beryllium hydroxide and compare it with the high-pressure structures of the other two minerals. In Be(OH)2, the transition from the ambient β-behoite phase with the orthorhombic space group P212121 and ambient unit cell parameters a = 4.5403(4) Å, b = 4.6253(5) Å, c = 7.0599(7) Å, to the high-pressure orthorhombic γ-polymorph with space group Fdd2 and unit cell parameters (at 5.3(1) GPa) a = 5.738(2) Å, b = 6.260(3) Å, c = 7.200(4) Å takes place between 1.7 and 3.6 GPa. This transition is essentially second order, is accompanied by a negligible volume discontinuity, and exhibits both displacive and reversible character. The mechanism of the phase transition results in a change to the hydrogen bond connectivities and rotation of the BeO4 tetrahedra.

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Acknowledgments

All of the experiments described in this paper were conducted by M. Barkley and were part of her Ph.D. thesis research, and the main conclusion of this work was described therein. H. Shelton conducted all structure refinements and comparative analysis. All authors contributed to writing the manuscript. The authors gratefully acknowledge the support of this study from the Chevron Corporation, BP p. l. c., the University of Arizona Galileo Circle, the Tucson Gem and Mineral Society, and Carnegie-DOE Alliance Center under cooperative agreement DE FC52-08NA28554. Development of the GSE_ADA software used for data analysis is supported by NSF Grant EAR1440005. We also thank Prof. M. Rieder and two anonymous reviewers for their keen editing and constructive criticism of this work. Portions of this project were performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation—Earth Sciences (EAR-0622171) and Department of Energy—Geosciences (DE-FG02-94ER14466). Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357.

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Authors and Affiliations

  1. Hawaii Institute of Geophysics and Planetology and Department of Geology and Geophysics, University of Hawaii at Manoa, Honolulu, HI, 96822, USA

    Hannah Shelton & Przemyslaw Dera

  2. Arizona Historical Society, Phoenix, AZ, 85007, USA

    Madison C. Barkley

  3. Department of Geosciences, University of Arizona, Tucson, AZ, 85721, USA

    Madison C. Barkley & Robert T. Downs

  4. Institut für Mineralogie und Kristallographie, Universität Wien, Althanstraβe 14, 1090, Vienna, Austria

    Ronald Miletich

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  1. Hannah Shelton
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  2. Madison C. Barkley
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Correspondence to Hannah Shelton.

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Shelton, H., Barkley, M.C., Downs, R.T. et al. Hydrogen bond effects on compressional behavior of isotypic minerals: high-pressure polymorphism of cristobalite-like Be(OH)2 . Phys Chem Minerals 43, 571–586 (2016). https://doi.org/10.1007/s00269-016-0818-5

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