Data sets for "Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition"
Data sets used to prepare Figures 1 and 3-18 in the Journal of Chemical Physics article entitled "Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition." The data sets describe the effect on the structure of glassy (MgO)_{0.375}(Al_2O_3)_{0.125}(SiO_2)_{0.5} of increasing the pressure from ambient to 8.2 GPa. They also describe the effect on the structure of releasing the pressure from 8.2 GPa and recovering the glass to ambient conditions. The structure was measured using in situ high pressure neutron diffraction. The coordination environment of aluminium in the as-prepared and recovered material was also probed using solid state 27Al nuclear magnetic resonance spectroscopy.
Cite this dataset as:
Salmon, P.,
Zeidler, A.,
2024.
Data sets for "Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-01238.
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Data
Fig1_27Al_NMR.agr
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Figure 1 shows the ^{27}Al MAS NMR spectra measured for the recovered MgAS_37.5_50 glasses containing ^{nat}Mg or ^{25}Mg.
Fig3_Fofq.agr
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Figure 3 shows the pressure dependence of the measured F(k) functions for the ^{nat}MgAS_37.5_50 glass.
Fig4_Fofq_NDIS.agr
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Figure 4 shows the measured F(k) functions for MgAS_37.5_50 glass containing either ^{nat}Mg or ^{25}Mg at ambient pressure, 3.9 GPa, 8.2 GPa or recovered to ambient conditions from 8.2 GPa.
Fig5_Reduced … FSDP_and_fit.agr
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Figure 5 shows the reduced density dependence of the scaled FSDP position for glassy and liquid network forming oxides in which the ambient pressure tetrahedral SiO_4 or GeO_4 or planar triangular BO_3 structural motifs are retained over the plotted density range.
Fig6_EOS_v9.agr
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Figure 6 shows the pressure-volume EOS at room temperature for glassy (a) magnesium aluminosilicates, (b) MgSiO_3 and Mg_2SiO_4, and (c) SiO_2.
Fig7_SiO2_EOS … ended_p-range.agr
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Figure 7 shows the pressure-volume EOS at room temperature for glassy SiO_2 over an extended pressure range.
Fig8_FOD.agr
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Figure 8 shows the measured Delta F_{Mg}(k) functions for glassy MgAS_37.5_50 at ambient pressure, 3.9 GPa, 8.2 GPa or recovered to ambient conditions from 8.2 GPa.
Fig9_Dofr_FOD.agr
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Figure 9 shows the fitted Delta D'_{Mg}(r) functions for glassy MgAS_37.5_50 at ambient pressure, 3.9 GPa, 8.2 GPa or recovered to ambient conditions from 8.2 GPa.
Fig10_WFOD.agr
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Figure 10 shows the measured Delta F(k) functions for glassy MgAS_37.5_50 at ambient pressure, 3.9 GPa, 8.2 GPa or recovered to ambient conditions from 8.2 GPa.
Fig11_Dofr_WFOD.agr
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Figure 11 shows the fitted Delta D'(r) functions for glassy MgAS_37.5_50 at ambient pressure, 3.9 GPa, 8.2 GPa or recovered to ambient conditions from 8.2 GPa.
Fig12_Dofr_part1.agr
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Figure 12 shows the fitted D'(r) functions for glassy MgAS_37.5_50 at ambient pressure or recovered to ambient conditions from 8.2 GPa for the samples containing either ^{nat}Mg (left column) or ^{25}Mg (right column).
Fig13_Dofr_part2.agr
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Figure 13 shows the fitted D'(r) functions for glassy MgAS_37.5_50 at 3.9 or 8.2 GPa for the samples containing either ^{nat}Mg (left column) or ^{25}Mg (right column).
Fig14_Dofr_part3.agr
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Figure 14 shows the fitted D'(r) functions for glassy ^{nat}MgAS_37.5_50 at 1.7, 3.0, 5.4 and 7.1 GPa.
Fig15_MgO_parameters_v2.agr
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Figure 15 shows the pressure dependence of the Mg-O (a) coordination number n_{Mg}^{O} and (b) mean bond length r_{MgO} for amorphous MgAS_37.5_50 and MgSiO_3 under cold compression.
Fig16_AlO_parameters_v2.agr
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Figure 16 shows the pressure dependence of the Al-O (a) coordination number n_{Al}^{O} and (b) mean bond length r_{AlO} for amorphous MgAS_37.5_50 under cold compression.
Fig17_bulk_modulus_vs_p_v5.agr
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Figure 17 shows the pressure dependence of the bulk modulus for glassy MgAS_37.5_50, MgSiO3, SiO_2, and the silicates LiAlSi_3O_8, NaAlSi_3O_8, KAlSi_3O_8 and Na_2MgSi_6O_{14}.
Fig18_Al-speciation … glass.agr
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Figure 18 shows the dependence of the aluminum speciation on the maximum applied pressure in cold-compression experiments on glassy pyrope and MgAS\_37.5\_50.
Coverage
Collection date(s):
From 29 June 2021 to 31 December 2023
Documentation
Data collection method:
The data sets were collected using the methods described in the published paper.
Data processing and preparation activities:
The data sets were analysed using the methods described in the published paper.
Technical details and requirements:
The figures were prepared using QtGrace (https://sourceforge.net/projects/qtgrace/). The data set corresponding to a plotted curve within an QtGrace file can be identified by clicking on that curve.
Funders
Royal Society
https://doi.org/10.13039/501100000288
Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications
DH140152
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications
DH140152
Structural role of magnesium in glass and glass-ceramics
CM00002159/SA/01
Publication details
Publication date: 25 January 2024
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-01238
URL for this record: https://researchdata.bath.ac.uk/id/eprint/1238
Related papers and books
Mohammadi, H., Zeidler, A., Youngman, R. E., Fischer, H. E., and Salmon, P. S., 2024. Pressure dependent structure of amorphous magnesium aluminosilicates: The effect of replacing magnesia by alumina at the enstatite composition. The Journal of Chemical Physics, 160(6). Available from: https://doi.org/10.1063/5.0189392.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Philip Salmon
Faculty of Science
Physics
Research Centres & Institutes
Centre for Nanoscience and Nanotechnology
Centre for Networks and Collective Behaviour
