Data sets for "Structure of amorphous materials in the NASICON system Na_{1+x}Ti_2Si_xP_{3-x}O_{12}"

Data sets used to prepare Figures 3, 5 and 6 in the Journal of Physics: Condensed Matter article entitled "Structure of amorphous materials in the NASICON system Na_{1+x}Ti_2Si_xP_{3-x}O_{12}". The data sets refer to the glass structure for the compositions x = 0.8 and x = 1.0, as measured using neutron and x-ray diffraction. The diffraction results were combined with those from 29Si, 31P and 23Na solid-state nuclear magnetic resonance experiments to obtain a more complete picture of the atomic structure. NASICON is an acronym for sodium (Na) super-ionic conductor and NASICON materials are of interest as solid electrolytes and electrode materials for electrical storage energy devices. The crystalline phase can be prepared via the glass-ceramic route, leading to basic questions about the structure of the glass and how it evolves during the process of crystallisation.

Subjects:
Energy
Facility Development
Materials sciences
Tools, technologies and methods

Cite this dataset as:
Salmon, P., Zeidler, A., 2023. Data sets for "Structure of amorphous materials in the NASICON system Na_{1+x}Ti_2Si_xP_{3-x}O_{12}". Bath: University of Bath Research Data Archive. Available from: https://doi.org/10.15125/BATH-01226.

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Data

Fig3_Sofq_NTSP_v2.agr
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Figure 3 shows the measured (a) neutron and (b) x-ray total structure factors for glassy NTSP with x = 0.8 and x = 1.0.

Fig5_Dofr_fit_NTSP_ND.agr
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Figure 5 shows the fitted D'(r) functions for glassy NTSP with (a) x = 0.8 and (b) x = 1.0 measured using neutron diffraction.

Fig6_Dofr_fit_NTSP_XRD.agr
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Figure 6 shows the fitted D'(r) functions for glassy NTSP with (a) x = 0.8 and (b) x = 1.0 measured using x-ray diffraction.

Creators

Philip Salmon
University of Bath

Anita Zeidler
University of Bath

Contributors

University of Bath
Rights Holder

Coverage

Collection date(s):

From 12 September 2019 to 30 November 2022

Documentation

Data collection method:

The data sets were collected using the methods described in the published paper.

Technical details and requirements:

Figures 3, 5 and 6 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.

Methodology link:

Mendes Da Silva, R., Zeidler, A., Bradtmüller, H., Eckert, H., Fischer, H. E., Benmore, C. J., and Salmon, P. S., 2023. Structure of amorphous materials in the NASICON system Na 1+x Ti2Si x P 3−x O12. Journal of Physics: Condensed Matter, 35(27), 274002. Available from: https://doi.org/10.1088/1361-648x/acc8af.

Funders

Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications
DH140152

The chameleon-like properties of magnesium in commercial glass
RGF/EA/180060

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
https://doi.org/10.13039/501100001807

Grant
2013/7793-6

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)
https://doi.org/10.13039/501100001807

Grant
2019/26399-3

Publication details

Publication date: 21 March 2023
by: University of Bath

Version: 1

DOI: https://doi.org/10.15125/BATH-01226

URL for this record: https://researchdata.bath.ac.uk/id/eprint/1226

Related papers and books

Mendes Da Silva, R., Zeidler, A., Bradtmüller, H., Eckert, H., Fischer, H. E., Benmore, C. J., and Salmon, P. S., 2023. Structure of amorphous materials in the NASICON system Na 1+x Ti2Si x P 3−x O12. Journal of Physics: Condensed Matter, 35(27), 274002. Available from: https://doi.org/10.1088/1361-648x/acc8af.

Contact information

Please contact the Research Data Service in the first instance for all matters concerning this item.

Contact person: Philip Salmon

Departments:

Faculty of Science
Physics

Research Centres & Institutes
Centre for Nanoscience and Nanotechnology