Data sets for "Bond counting strategies in an oxygen centric perspective on the structure of oxide glasses"
Data sets used to prepare Figures 2-10 in the Journal of the Ceramic Society of Japan article entitled "Bond counting strategies in an oxygen centric perspective on the structure of oxide glasses." The data sets describe the structures of several oxide glasses and provide the results obtained from bond counting strategies for examining the connectivity and nature of the network forming motifs. It is noted that the oxygen packing fraction acts as a marker for structural change in network-forming oxides under high-pressure conditions.
Cite this dataset as:
Salmon, P.,
Zeidler, A.,
2026.
Data sets for "Bond counting strategies in an oxygen centric perspective on the structure of oxide glasses".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-01656.
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Data
Fig2_gamma_and_Q_vs_CFS_v3.agr
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Figure 2 shows the cation field strength dependence of the parameter p = 〈f_{Al(IV)}〉 and the aluminium avoidance parameter Q.
Fig3_fNBO_vs_R_v6.agr
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Figure 3 shows the dependence of f_NBO on the ratio R for several aluminosilicate systems along tie-lines with constant SiO2 content.
Fig4_M-O_params_vs_1overR.agr
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Figure 4 shows the dependence of the mean M-O (M = Zn or Mg) bond distances and coordination numbers on 1/R for (a) and (b) ZnAS glasses and (c) and (d) MgAS glasses.
Fig5a_fNBO … density_all_Al.agr
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Figure 5(a) shows the dependence of f_NBO on the reduced density for depolymerised aluminosilicate glasses.
Fig5b_fNBO … Al-O_CN_all_Al.agr
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Figure 5(b) shows the dependence of f_NBO on the Al-O coordination number for depolymerised aluminosilicate glasses.
Fig6_O2_vs_O3_density_v5.agr
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Figure 6 shows the reduced density dependence of the fractions of NBO, BO and TBO species in aluminosilicate glasses.
Fig7_Nb2O5-NaPO3 … ciation_v2.agr
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Figure 7 shows the composition dependence of (a) N_{NBO}/N_P, (b) N_{PONb}/N_P, (c) N_{POP}/N_P, and (d) f_{NbONb} for glassy (Nb2O5)_x(NaPO3)_{1-x}.
Fig8_Tg_vs_x_v5.agr
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Figure 8 shows the composition dependence of the glass transition temperature T_g for glassy (Nb2O5)_x(NaPO3)_{1-x}.
Fig9_NBO_per_Nb_v2.agr
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Figure 9 shows the composition dependence of the N_{NBO}/N_Nb ratio for glassy (Nb2O5)_x(NaPO3)_{1-x}.
Fig10_O-packing_v3.agr
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Figure 10 shows the A-O coordination number for network-forming motifs (A = B, Ge, Si, or Si and Al) versus the oxygen packing fraction for several glassy and liquid oxide systems under pressure. The data points for several room temperature crystalline polymorphs of B2O3, GeO2, and SiO2 are also shown.
Contributors
University of Bath
Rights Holder
Coverage
Collection date(s):
From 1 January 2017 to 5 February 2026
Documentation
Data collection method:
The data sets were collected 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 a QtGrace file can be identified by clicking on that curve.
Additional information:
The files are labelled according to the corresponding figure numbers. The units for each axis are identified on the plots.
Funders
São Paulo Research Foundation (FAPESP)
https://doi.org/10.13039/501100001807
Bath–FAPESP São Paulo Researchers in International Collaboration (SPRINT) Award
2022/14232-0
Publication details
Publication date: 1 April 2026
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-01656
URL for this record: https://researchdata.bath.ac.uk/1656
Related papers and books
Salmon, P. S., and Zeidler, A., 2026. Bond counting strategies in an oxygen centric perspective on the structure of oxide glasses. Journal of the Ceramic Society of Japan, 134(4), 187-201. Available from: https://doi.org/10.2109/jcersj2.26010.
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
