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Publication Detail
P-V-T equation of state of synthetic mirabilite (Na2SO 4·10D2O) determined by powder neutron diffraction
  • Publication Type:
    Journal article
  • Publication Sub Type:
    Journal Article
  • Authors:
    Fortes AD, Brand HEA, Vočadlo L, Lindsay-Scott A, Fernandez-Alonso F, Wood IG
  • Publication date:
  • Pagination:
    448, 460
  • Journal:
    Journal of Applied Crystallography
  • Volume:
  • Issue:
  • Print ISSN:
  • PII:
  • Language:
  • Keywords:
    Equations of state, Ice IV, mirabilite, Neutron diffraction
Neutron powder diffraction data have been collected from Na 2SO4·10D2O (the deuterated analogue of mirabilite), a highly hydrated sulfate salt that is thought to be a candidate rock-forming mineral in some icy satellites of the outer solar system. These measurements, made using the OSIRIS instrument on the ISIS neutron spallation source, covered the range 0.1 < P < 545 MPa and 150 < T < 270 K. The refined unit-cell volumes as a function of pressure and temperature are parameterized in the form of a Birch-Murnaghan third-order equation of state, and the anisotropic linear incompressibilities are represented in terms of the elastic strain tensor. At 270 K, the bulk modulus K0,270 = 19.6 (1) GPa, its first pressure derivative ∂K/∂P = 5.8 (5) and its temperature dependence ∂K/∂T = -0.0175 (6) GPa K-1. The stiffest direction at 270 K, with a linear bulk modulus of ∼82 GPa, is coincident with the twofold axis of this monoclinic crystal. Of the remaining two principal directions, the most compressible (K ≃ 44 GPa) is roughly aligned with the c axis, and the intermediate value (K ≃ 59 GPa) is therefore approximately collinear with a*. With the aid of additional published data, a number of other important thermodynamic quantities have been derived, including the Grüneisen and Anderson-Grüneisen parameters, and the volume and enthalpy of melting along the high-pressure melting curve. Additional data obtained during this work, concerning the elastic properties of deuterated ice IV, are also presented. Copyright © International Union of Crystallography 2013.
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