P–V–T equation of state of synthetic mirabilite (Na2SO4·10D2O) determined by powder neutron diffraction

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dc.contributor.authorFortes, ADen_AU
dc.contributor.authorBrand, HEAen_AU
dc.contributor.authorVočadlo, Len_AU
dc.contributor.authorLindsay-Scott, Aen_AU
dc.contributor.authorFernandez-Alonso, Fen_AU
dc.contributor.authorWood, IGen_AU
dc.date.accessioned2021-12-07T04:10:07Zen_AU
dc.date.available2021-12-07T04:10:07Zen_AU
dc.date.issued2013-04en_AU
dc.date.statistics2021-11-09en_AU
dc.description.abstractNeutron 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. © 2013 International Union of Crystallographyen_AU
dc.description.sponsorshipThe authors thank the STFC ISIS facility for beam time and thank the ISIS Technical Support staff for their invaluable assistance. HEAB was funded by a postgraduate studentship from the Natural Environment Research Council, grant No. NER/S/A/2005/13554. ADF is supported by an advanced fellowship from the UK Science and Technology Facilities Council (STFC), grant No. PP/E006515/1.en_AU
dc.identifier.citationFortes, A. D., Brand, H. E. A., Vočadlo, L., Lindsay-Scott, A., Fernandez-Alonso, F., & Wood, I. G. (2013). P–V–T equation of state of synthetic mirabilite (Na2SO4· 10D2O) determined by powder neutron diffraction. Journal of Applied Crystallography, 46, 448-460. doi:10.1107/S0021889813001362en_AU
dc.identifier.issn1600-5767en_AU
dc.identifier.journaltitleJournal of Applied Crystallographyen_AU
dc.identifier.pagination448-460en_AU
dc.identifier.urihttps://doi.org/10.1107/S0021889813001362en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/12373en_AU
dc.identifier.volume46en_AU
dc.language.isoenen_AU
dc.publisherJohn Wiley & Sons, Incen_AU
dc.subjectEquations of stateen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectIceen_AU
dc.subjectSatellitesen_AU
dc.subjectSaltsen_AU
dc.subjectMineralsen_AU
dc.titleP–V–T equation of state of synthetic mirabilite (Na2SO4·10D2O) determined by powder neutron diffractionen_AU
dc.typeJournal Articleen_AU
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