Data sets for "Structure of diopside, enstatite and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR"

1192 64 16309 2 54744 document 16309 Fig1_XRD_Sofk_v3.agr text/plain fa29f0bc7b8d6dad64b322f1e7310be7 MD5 341023 2022-08-29 15:44:40 https://researchdata.bath.ac.uk/1192/1/Fig1_XRD_Sofk_v3.agr 1192 1 1 text/plain other Figure 1 shows the The S_X(k) functions measured for diopside glass and for several of the MgAS glasses containing either ^{nat}Mg or ^{25}Mg. en public cc_by

Fig1_XRD_Sofk_v3.agr

data 16310 2 54746 document 16310 Fig3_c-25MgO_0p5A_fofq.agr text/plain 3b19f0329127a46ab699feeb687c3db4 MD5 21632 2022-08-29 15:46:52 https://researchdata.bath.ac.uk/1192/2/Fig3_c-25MgO_0p5A_fofq.agr 1192 2 2 text/plain other Figure 3 shows the F_N(k) function for crystalline ^{25}MgO measured using lambda = 0.4976 A. en public cc_by

Fig3_c-25MgO_0p5A_fofq.agr

data 16315 2 54756 document 16315 Fig4_c-25MgO_0p5A_Dofr.agr text/plain f01813df4b24267d3cafda1caa1e1bd1 MD5 603762 2022-08-29 15:54:00 https://researchdata.bath.ac.uk/1192/7/Fig4_c-25MgO_0p5A_Dofr.agr 1192 7 7 text/plain other Figure 4 shows the fitted D'_N(r) function for crystalline ^{25}MgO. en public cc_by

Fig4_c-25MgO_0p5A_Dofr.agr

data 16316 2 54758 document 16316 Fig6_ratios_vs_R_v2.agr text/plain 94c289ba316ebfef5f9e3fa59de01f74 MD5 30135 2022-08-29 15:54:47 https://researchdata.bath.ac.uk/1192/8/Fig6_ratios_vs_R_v2.agr 1192 8 8 text/plain other Figure 6 shows the R dependence of the ratios N_{Si-O-Al}/N_{Si}, N_{NBO}/N_{Si} (p = 1) and N_{NBO}/N_{Si-O-Al} for the standard model of aluminosilicate glass. The ratio N_{NBO}/N_{Si} for the GYZAS model of magnesium aluminosilicates with p = 0.77 is also given. The ratios are calculated for tie-lines with either 50 mol% silica (left column) or 60 mol% silica (right column). en public cc_by

Fig6_ratios_vs_R_v2.agr

data 16317 2 54760 document 16317 Fig12_Fofk.agr text/plain 6d21679f30ae3bf593b05602b7c390fe MD5 310195 2022-08-29 15:55:21 https://researchdata.bath.ac.uk/1192/9/Fig12_Fofk.agr 1192 9 9 text/plain other Figure 12 shows the measured F_{N}(k) functions for the enstatite, diopside and MgAS glasses containing either ^{nat}Mg or ^{25}Mg. en public cc_by

Fig12_Fofk.agr

data 16318 2 54766 document 16318 Fig13_FOD_k.agr text/plain 9dcb120211c2b64dc0029d3acb653268 MD5 167977 2022-08-29 15:56:11 https://researchdata.bath.ac.uk/1192/10/Fig13_FOD_k.agr 1192 10 10 text/plain other Figure 13 shows the measured Delta F_{Mg}(k) functions for the enstatite, diopside and MgAS glasses. en public cc_by

Fig13_FOD_k.agr

data 16319 2 54768 document 16319 Fig14_FOD_r.agr text/plain add6d0788d708c8d84ec958e92fcb8c7 MD5 696603 2022-08-29 15:56:55 https://researchdata.bath.ac.uk/1192/11/Fig14_FOD_r.agr 1192 11 11 text/plain other Figure 14 shows the fitted Delta D'_{Mg}(r) functions for the enstatite, diopside and MgAS glasses. en public cc_by

Fig14_FOD_r.agr

data 16320 2 54770 document 16320 Fig15_wFOD_k_v2.agr text/plain c56fc9813a760484d6ea7466d0a5fd84 MD5 199930 2022-08-29 15:57:53 https://researchdata.bath.ac.uk/1192/12/Fig15_wFOD_k_v2.agr 1192 12 12 text/plain other Figure 15 shows the measured Delta F(k) functions for the enstatite, diopside and MgAS glasses. en public cc_by

Fig15_wFOD_k_v2.agr

data 16321 2 54772 document 16321 Fig16_wFOD_r_v2.agr text/plain c3dfd423d86dc4b0222988bc16398d6f MD5 685148 2022-08-29 15:58:33 https://researchdata.bath.ac.uk/1192/13/Fig16_wFOD_r_v2.agr 1192 13 13 text/plain other Figure 16 shows the fitted Delta D'(r) functions for the enstatite, diopside and MgAS glasses. en public cc_by

Fig16_wFOD_r_v2.agr

data 16322 2 54774 document 16322 Fig17_Dofr_XRD.agr text/plain 19ba9d5ad5b9c51485abf8e5a3c8bfb6 MD5 350121 2022-08-29 15:59:29 https://researchdata.bath.ac.uk/1192/14/Fig17_Dofr_XRD.agr 1192 14 14 text/plain other Figure 17 shows the fitted D'_{X}(r) functions for diopside and three of the MgAS glasses. en public cc_by

Fig17_Dofr_XRD.agr

data 16323 2 54776 document 16323 Fig18_Dofr_part1_v2.agr text/plain 763eaaf7247e57cf632837a6b93bab20 MD5 772814 2022-08-29 16:00:25 https://researchdata.bath.ac.uk/1192/15/Fig18_Dofr_part1_v2.agr 1192 15 15 text/plain other Figure 18 shows the fitted D'_{N}(r) functions for enstatite and two MgAS glasses along the 50 mol% silica tie-line for the samples containing either ^{nat}Mg (left column) or ^{25}Mg (right column). en public cc_by

Fig18_Dofr_part1_v2.agr

data 16324 2 54778 document 16324 Fig19_Dofr_part2_v3.agr text/plain 7f69420110fd4571a6c910eb7cc98fcd MD5 1379230 2022-08-29 16:01:37 https://researchdata.bath.ac.uk/1192/16/Fig19_Dofr_part2_v3.agr 1192 16 16 text/plain other Figure 19 shows the fitted D'_{N}(r) functions for diopside and two MgAS glasses along the 60 mol% silica tie-line for the samples containing either ^{nat}Mg (left column) or ^{25}Mg (right column). en public cc_by

Fig19_Dofr_part2_v3.agr

data 16381 2 55105 document 16381 Fig20_enstatite_Gofr.agr text/plain 8047edcbbd94d71e58a1cda065b5921a MD5 291130 2022-09-10 12:48:48 https://researchdata.bath.ac.uk/1192/17/Fig20_enstatite_Gofr.agr 1192 17 17 text/plain other Figure 20 shows the Delta G_{Mg}(r) function for enstatite glass as measured using neutron diffraction with magnesium isotope substitution or simulated using molecular dynamics. The contributions to the simulated function from the weighted g_{MgO}(r), g_{MgSi}(r) and g_{MgMg}(r) functions are also given. en public cc_by

Fig20_enstatite_Gofr.agr

data archive 479 disk0/00/00/11/92 2022-11-18 13:19:59 2025-05-17 04:52:12 2022-11-18 13:19:59 data_collection show Salmon Philip P.S.Salmon@bath.ac.uk 0000-0001-8671-1011 University of Bath TRUE Zeidler Anita A.Zeidler@bath.ac.uk 0000-0001-6501-8525 University of Bath FALSE Data sets for "Structure of diopside, enstatite and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR" CG0020 CM0040 EM0050 GE0030 GE0040 KS0160 dept_physics Data sets used to prepare Figures 1, 3, 4, 6 and 12-20 in the Journal of Chemical Physics article entitled "Structure of diopside, enstatite and magnesium aluminosilicate glasses: A joint approach using neutron and x-ray diffraction and solid-state NMR." The data sets refer to the measured and modelled structure of several magnesium containing glasses. 2022-11-18 University of Bath public RightsHolder University of Bath Corning https://doi.org/10.13039/100008280 CM00002159/SA/01 Structural role of magnesium in glass and glass-ceramics Royal Society https://doi.org/10.13039/501100000288 DH140152 Dorothy Hodgkin Research Fellowship - Rational Design of Glassy Materials with Technological Applications Royal Society https://doi.org/10.13039/501100000288 RGF\EA\180060 The chameleon-like properties of magnesium in commercial glass Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L015544/1 EPSRC Centre for Doctoral Training in Condensed Matter Physics Diamond Light Source https://doi.org/10.13039/100011889 STU173 ISIS Facility Development Studentship (Lawrence Gammond) Science and Technology Facilities Council https://doi.org/10.13039/501100000271 STU173 ISIS Facility Development Studentship (Lawrence Gammond) São Paulo Research Foundation (FAPESP) https://doi.org/10.13039/501100001807 2013/07793-6 Center for Research, Teaching, and Innovation in Glass National Council for Scientific and Technological Development (CNPq) https://doi.org/10.13039/501100003593 311069/2020-7 National Council for Scientific and Technological Development (CNPq) https://doi.org/10.13039/501100003593 310870/2020-8 United States Department of Energy https://doi.org/10.13039/100000015 DE-AC02-06CH11357 Advanced Photon Source cent_nan cent_netcb cent_cmpcdt The data sets were collected using the methods described in the published paper. The data sets were analysed using the methods described in the published paper. 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. 2019-07-17 2022-08-29 en 1 10.15125/BATH-01192 https://doi.org/10.1063/5.0125879 pub open Dataset