J. Appl. Cryst. (2013). 46, 448-460 [ doi:10.1107/S0021889813001362 ]
Abstract: Neutron powder diffraction data have been collected from Na2SO4·10D2O (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.
Keywords: mirabilite; equations of state; neutron diffraction; ice IV.
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