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

Author(s)
Hannah Shelton, Madison C. Barkley, Robert T. Downs, Ronald Miletich-Pawliczek, Przemyslaw Dera
Abstract

Three isotypic crystals, SiO2 (a-cristobalite), e-Zn(OH)2 (wülfingite), and Be(OH)2 (ß-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 ?-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 ß-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 ?-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.

Organisation(s)
Department of Mineralogy and Crystallography
External organisation(s)
University of Hawaii at Manoa, University of Arizona, Arizona Historical Society
Journal
Physics and Chemistry of Minerals
Volume
43
Pages
571-586
No. of pages
16
ISSN
0342-1791
DOI
https://doi.org/10.1007/s00269-016-0818-5
Publication date
05-2016
Peer reviewed
Yes
Austrian Fields of Science 2012
105116 Mineralogy, 105113 Crystallography
Keywords
ASJC Scopus subject areas
Geochemistry and Petrology, General Materials Science
Portal url
https://ucrisportal.univie.ac.at/en/publications/8944af8c-d529-471e-b668-e1145d32d8ab