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Compression and structure of brucite to 31 GPa from synchrotron X-ray diffraction and infrared spectroscopy studies

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Published/Copyright: March 7, 2015
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American Mineralogist
From the journal American Mineralogist Volume 98 Issue 1

Abstract

Synchrotron X-ray powder diffraction and infrared (IR) spectroscopy studies on natural brucite were conducted up to 31 GPa using diamond-anvil cell (DAC) techniques at beamlines X17C and U2A of National Synchrotron Light Source (NSLS). The lattice parameters and unit-cell volumes were refined in P3̄m1 space group throughout the experimental pressure range. The anisotropy of lattice compression decreases with pressure due to a more compressible c axis and the compression becomes nearly isotropic in the pressure range of 10-25 GPa. The unit-cell volumes are fitted to the third-order Birch-Murnaghan equation of state, yielding K0 = 39.4(1.3) GPa, K0′ = 8.4(0.4) for the bulk modulus and its pressure-derivative, respectively. No phase transition or amorphization was resolved from the X-ray diffraction data up to 29 GPa, however, starting from ~4 GPa, a new infrared vibration band (~3638 cm-1) 60 cm-1 below the OH stretching A2u band of brucite was found to coexist with the A2u band and its intensity continuously increases with pressure. The new OH stretching band has a more pronounced redshift as a function of pressure (-4.7 cm-1/GPa) than the A2u band (-0.7 cm-1/ GPa). Comparison with first-principles calculations suggests that a structural change involving the disordered H sublattice is capable of reconciling the observations from X-ray diffraction and infrared spectroscopy studies.

Keywords : Brucite; equation of state; X-ray diffraction; infrared spectroscopy
Received: 2012-1-24
Accepted: 2012-9-7
Published Online: 2015-3-7
Published in Print: 2013-1-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. H/D isotope effects in brucite at low temperatures
  2. Coupled H and Nb, Cr, and V trace element behavior in synthetic rutile at 600 °C, 400 MPa and possible geological application
  3. Dissolution-reprecipitation vs. solid-state diffusion: Mechanism of mineral transformations in sylvanite, (AuAg)2Te4, under hydrothermal conditions
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https://doi.org/10.2138/am.2013.4117
Keywords for this article
Brucite; equation of state; X-ray diffraction; infrared spectroscopy

Articles in the same Issue

  1. H/D isotope effects in brucite at low temperatures
  2. Coupled H and Nb, Cr, and V trace element behavior in synthetic rutile at 600 °C, 400 MPa and possible geological application
  3. Dissolution-reprecipitation vs. solid-state diffusion: Mechanism of mineral transformations in sylvanite, (AuAg)2Te4, under hydrothermal conditions
  4. Compression and structure of brucite to 31 GPa from synchrotron X-ray diffraction and infrared spectroscopy studies
  5. Full analysis of feldspar texture and crystal structure by combining X-ray and electron techniques
  6. Correlating planar microstructures in shocked zircon from the Vredefort Dome at multiple scales: Crystallographic modeling, external and internal imaging, and EBSD structural analysis
  7. A spectroscopic and carbon-isotope study of mixed-habit diamonds: Impurity characteristics and growth environment
  8. Thermal infrared and Raman microspectroscopy of moganite-bearing rocks
  9. Mineralogical characterization and formation of Fe-Si oxyhydroxide deposits from modern seafloor hydrothermal vents
  10. Cathodoluminescence properties of quartz eyes from porphyry-type deposits: Implications for the origin of quartz
  11. Microbeam X-ray analysis of Ce3+/Ce4+ in Ti-rich minerals: A case study with titanite (sphene) with implications for multivalent trace element substitution in minerals
  12. Aluminum ordering and clustering in Al-rich synthetic phlogopite: The influence of fluorine investigated by {19F/1H} 29Si CPMAS NMR spectroscopy
  13. DFT+U investigation of the catalytic properties of ferruginous clay
  14. A thermodynamic model for silica and aluminum in alkaline solutions with high ionic strength at elevated temperatures up to 100 °C: Applications to zeolites
  15. Nanopores in hematite (α-Fe2O3) nanocrystals observed by electron tomography
  16. Berthierine-like mineral formation and stability during the interaction of kaolinite with metallic iron at 90 °C under anoxic and oxic conditions
  17. An X-ray diffraction study of the pressure-induced hydration in cordierite at 4–5 GPa
  18. Natural occurrence of keatite precipitates in UHP clinopyroxene from the Kokchetav Massif: A TEM investigation
  19. High-pressure Raman spectroscopy, vibrational mode calculation, and heat capacity calculation of calcium ferrite-type MgAl2O4 and CaAl2O4
  20. First-principles study on the high-pressure phase transition and elasticity of KAlSi3O8 hollandite
  21. Zircon growth and recrystallization during progressive metamorphism, Barrovian zones, Scotland
  22. Saltonseaite, K3NaMn2+Cl6, the Mn analogue of rinneite from the Salton Sea, California
  23. Rongibbsite, Pb2(Si4Al)O11(OH), a new zeolitic aluminosilicate mineral with an interrupted framework from Maricopa County, Arizona, U.S.A.
  24. Quadratite, AgCdAsS3: Chemical composition, crystal structure, and OD character
  25. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part I. Crystal structure of hereroite, [Pb32O20(O,⃞)](AsO4)2[(Si,As,V,Mo)O4]2Cl10
  26. Crystal chemistry of layered Pb oxychloride minerals with PbO-related structures: Part II. Crystal structure of vladkrivovichevite, [Pb32O18][Pb4Mn2O]Cl14(BO3)8·2H2O
  27. Amorphous materials: Properties, structure, and durability: Acceleration and inhibition effects of phosphate on phase transformation of amorphous calcium carbonate into vaterite
  28. Letter: Implications of equilibrium and disequilibrium among crystal phases in the Bishop Tuff
  29. Letter: Actinides in Geology, Energy, and the Environment: Chemistry and radiation effects of davidite
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