1. Hydrogen bond symmetrization and equation of state of phase D
- Author
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Przemyslaw Dera, Anwar Hushur, Joseph R. Smyth, Quentin Williams, Daniel J. Frost, Murli H. Manghnani, Dayana Lonappan, Eric Hellebrand, and Yu Ye
- Subjects
Diffraction ,Atmospheric Science ,Bulk modulus ,Materials science ,Ecology ,Hydrogen ,Equation of state (cosmology) ,Hydrogen bond ,Paleontology ,Soil Science ,chemistry.chemical_element ,Forestry ,Aquatic Science ,Oceanography ,Crystallography ,Geophysics ,chemistry ,Space and Planetary Science ,Geochemistry and Petrology ,Phase (matter) ,X-ray crystallography ,Earth and Planetary Sciences (miscellaneous) ,Compressibility ,Earth-Surface Processes ,Water Science and Technology - Abstract
We have synthesized phase D at 24 GPa and at temperatures of 1250-1100 C in a multianvil press under conditions of high silica activity. The compressibility of this high-silica-activity phase D (Mg{sub 1.0}Si{sub 1.7}H{sub 3.0}O{sub 6}) has been measured up to 55.8 GPa at ambient temperature by powder X-ray diffraction. The volume (V) decreases smoothly with increasing pressure up to 40 GPa, consistent with the results reported in earlier studies. However, a kink is observed in the trend of V versus pressure above {approx}40 GPa, reflecting a change in the compression behavior. The data to 30 GPa fit well to a third-order Birch-Murnaghan equation of state (EoS), yielding V{sub o} = 85.1 {+-} 0.2 {angstrom}{sup 3}; K{sub o} = 167.9 {+-} 8.6 GPa; and K{prime}{sub o} = 4.3 {+-} 0.5, similar to results for Fe-Al-free phase D reported by Frost and Fei (1999). However, these parameters are larger than those reported for Fe-Al-bearing phase D and for Fe-Al-free phase D. The abnormal volume change in this study may be attributed to the reported hydrogen bond symmetrization in phase D. Fitting a third-order Birch-Murnaghan EoS to the data below 30 GPa yields a bulk modulus K{sub o} = 173 (2) GPamore » for the hydrogen-off-centered (HOC) phase and K{sub o} = 212 (15) GPa for the data above 40 GPa for the hydrogen-centered (HC) phase, assuming K{prime}{sub o} is 4. The calculated bulk modulus K{sub o} of the HC phase is 18% larger than the bulk modulus K{sub o} of the HOC phase.« less
- Published
- 2011