Data sets for "Mapping the structural trends in zinc aluminosilicate glasses"

1200 349 17043 3 59887 document 17043 Fig5_27Al_NMR.agr text/plain 304db24b88a9750042b94f430bd50177 MD5 7243723 2023-04-07 15:46:31 https://researchdata.bath.ac.uk/1200/46/Fig5_27Al_NMR.agr 1200 46 46 text/plain other Figure 5 shows the measured ^{27}Al MAS NMR spectra for several of the ZnAS glasses. en public cc_by

Fig5_27Al_NMR.agr

data 17044 3 59890 document 17044 Fig6_Sofk_ND_50molpc_SiO2.agr text/plain d7c659316b6d4d86e8ad264024d68d29 MD5 154122 2023-04-07 15:47:25 https://researchdata.bath.ac.uk/1200/47/Fig6_Sofk_ND_50molpc_SiO2.agr 1200 47 47 text/plain other Figure 6 shows the measured S_N(k) functions for the ZnAS glasses with 50 mol% silica. en public cc_by

Fig6_Sofk_ND_50molpc_SiO2.agr

data 17045 3 59893 document 17045 Fig7_Sofk_XRD_50molpc_SiO2_v3.agr text/plain 52820e67e97b8a777c6d3cacb75beb57 MD5 344158 2023-04-07 15:48:05 https://researchdata.bath.ac.uk/1200/48/Fig7_Sofk_XRD_50molpc_SiO2_v3.agr 1200 48 48 text/plain other Figure 7 shows the measured S_X(k) functions for the ZnAS glasses with 50 mol% silica. en public cc_by

Fig7_Sofk_XRD_50molpc_SiO2_v3.agr

data 17046 3 59896 document 17046 Fig8_Sofk_ND_tecto.agr text/plain f39231336448cc442f4731372623414b MD5 107157 2023-04-07 15:48:56 https://researchdata.bath.ac.uk/1200/49/Fig8_Sofk_ND_tecto.agr 1200 49 49 text/plain other Figure 8 shows the measured S_N(k) functions for the ZnAS glasses along the tectosilicate tie-line. en public cc_by

Fig8_Sofk_ND_tecto.agr

data 17047 2 59899 document 17047 Fig9_Dofr_ND_50molpc_SiO2_part1_v2.agr text/plain 71844f18a6467e2cd3e03d826ec074f3 MD5 389032 2023-04-07 15:49:30 https://researchdata.bath.ac.uk/1200/50/Fig9_Dofr_ND_50molpc_SiO2_part1_v2.agr 1200 50 50 text/plain other Figure 9 shows the fitted D'_N(r) functions for the lower alumina content ZnAS glasses with 50 mol% silica. en public cc_by

Fig9_Dofr_ND_50molpc_SiO2_part1_v2.agr

data 17048 2 59902 document 17048 Fig10_Dofr_ND_50molpc_SiO2_part2_v2.agr text/plain 6b3a303053d7782521c3f206f8730291 MD5 292446 2023-04-07 15:50:40 https://researchdata.bath.ac.uk/1200/51/Fig10_Dofr_ND_50molpc_SiO2_part2_v2.agr 1200 51 51 text/plain other Figure 10 shows the fitted D'_N(r) functions for the higher alumina content ZnAS glasses with 50 mol% silica. en public cc_by

Fig10_Dofr_ND_50molpc_SiO2_part2_v2.agr

data 17049 2 59905 document 17049 Fig11_Dofr_XRD_50molpc_SiO2_part1_v3.agr text/plain 3abe0f88775dca6c072f411e8b157cf0 MD5 1587418 2023-04-07 15:51:27 https://researchdata.bath.ac.uk/1200/52/Fig11_Dofr_XRD_50molpc_SiO2_part1_v3.agr 1200 52 52 text/plain other Figure 11 shows the fitted D'_X(r) functions for the lower alumina content ZnAS glasses with 50 mol% silica. en public cc_by

Fig11_Dofr_XRD_50molpc_SiO2_part1_v3.agr

data 17050 2 59908 document 17050 Fig12_Dofr_XRD_50molpc_SiO2_part2_v2.agr text/plain 35c13ce69ae0804adc993baa98c4a159 MD5 302727 2023-04-07 15:52:40 https://researchdata.bath.ac.uk/1200/53/Fig12_Dofr_XRD_50molpc_SiO2_part2_v2.agr 1200 53 53 text/plain other Figure 12 shows the fitted D'_X(r) functions for the higher alumina content ZnAS glasses with 50 mol% silica. en public cc_by

Fig12_Dofr_XRD_50molpc_SiO2_part2_v2.agr

data 17062 3 59965 document 17062 FigS1_Sofk_ND_60molpc_SiO2.agr text/plain 64ccf678cce3cedfb1d736704605d86f MD5 116170 2023-04-07 16:01:17 https://researchdata.bath.ac.uk/1200/65/FigS1_Sofk_ND_60molpc_SiO2.agr 1200 65 65 text/plain other Figure S1 shows the measured S_N(k) functions for the ZnAS glasses with 60 mol% silica. en public cc_by

FigS1_Sofk_ND_60molpc_SiO2.agr

data 17063 3 59968 document 17063 FigS2_Sofk_ND_70molpc_SiO2.agr text/plain 145b5f65e4e272f1466d3a91fbeb7ed8 MD5 93516 2023-04-07 16:01:43 https://researchdata.bath.ac.uk/1200/66/FigS2_Sofk_ND_70molpc_SiO2.agr 1200 66 66 text/plain other Figure S2 shows the measured S_N(k) functions for the ZnAS glasses with either 65 or 70 mol% silica. en public cc_by

FigS2_Sofk_ND_70molpc_SiO2.agr

data 17070 2 60011 document 17070 FigS3_Sofk_XRD_60molpc_v2.agr text/plain 1b045daa2e2ddd52878d568e713f7dbd MD5 229949 2023-04-07 16:31:29 https://researchdata.bath.ac.uk/1200/73/FigS3_Sofk_XRD_60molpc_v2.agr 1200 73 73 text/plain other Figure S3 shows the measured S_X(k) functions for the ZnAS glasses with 60 mol% silica. en public cc_by

FigS3_Sofk_XRD_60molpc_v2.agr

data 17071 2 60013 document 17071 FigS4_Sofk_XRD_65-70molpc_SiO2_v2.agr text/plain 68b3164c7b325827b4d46305fbf989d2 MD5 194736 2023-04-07 16:31:52 https://researchdata.bath.ac.uk/1200/74/FigS4_Sofk_XRD_65-70molpc_SiO2_v2.agr 1200 74 74 text/plain other Figure S4 shows the measured S_X(k) functions for the ZnAS glasses with either 65 or 70 mol% silica. en public cc_by

FigS4_Sofk_XRD_65-70molpc_SiO2_v2.agr

data 17072 2 60015 document 17072 FigS5_Dofr_ND_60molpc_SiO2.agr text/plain af3aeafe27d47de9878fa8483e51878d MD5 485355 2023-04-07 16:32:14 https://researchdata.bath.ac.uk/1200/75/FigS5_Dofr_ND_60molpc_SiO2.agr 1200 75 75 text/plain other Figure S5 shows the fitted D'_N(r) functions for the ZnAS glasses with 60 mol% silica. en public cc_by

FigS5_Dofr_ND_60molpc_SiO2.agr

data 17073 3 60017 document 17073 FigS6_Dofr_ND_65-70_molpc_SiO2.agr text/plain 131b3cd7f9ff2e9ec3502b9fbeca4dc1 MD5 389110 2023-04-07 16:32:34 https://researchdata.bath.ac.uk/1200/76/FigS6_Dofr_ND_65-70_molpc_SiO2.agr 1200 76 76 text/plain other Figure S6 shows the fitted D'_N(r) functions for the ZnAS glasses with either 65 or 70 mol% silica. en public cc_by

FigS6_Dofr_ND_65-70_molpc_SiO2.agr

data 17074 2 60019 document 17074 FigS7_Dofr_XRD_60molpc_SiO2_v3.agr text/plain e12aecb00714740fd6880bb4ef92c21b MD5 1094936 2023-04-07 16:32:56 https://researchdata.bath.ac.uk/1200/77/FigS7_Dofr_XRD_60molpc_SiO2_v3.agr 1200 77 77 text/plain other Figure S7 shows the fitted D'_X(r) functions for the ZnAS glasses with 60 mol% silica. en public cc_by

FigS7_Dofr_XRD_60molpc_SiO2_v3.agr

data 17084 2 60098 document 17084 FigS8_Dofr_XRD_65-70molpc_SiO2_v2.agr text/plain 60584d9566b46ef9ec35352187554fb4 MD5 995383 2023-04-11 11:46:26 https://researchdata.bath.ac.uk/1200/87/FigS8_Dofr_XRD_65-70molpc_SiO2_v2.agr 1200 87 87 text/plain other Figure S8 shows the fitted D'_X(r) functions for the ZnAS glasses with either 65 or 70 mol% silica. en public cc_by

FigS8_Dofr_XRD_65-70molpc_SiO2_v2.agr

data 17226 2 61518 document 17226 Fig2_c-Zn2SiO4_Sofq_v5.agr text/plain 581691c3d0b1759039a74e8dd0fdac3f MD5 141339 2023-06-25 15:07:03 https://researchdata.bath.ac.uk/1200/88/Fig2_c-Zn2SiO4_Sofq_v5.agr 1200 88 88 text/plain other Figure 2 shows the measured S_N(k) and S_X(k) functions for crystalline Zn_2SiO_4. en public cc_by

Fig2_c-Zn2SiO4_Sofq_v5.agr

data 17227 2 61520 document 17227 Fig3_c-Zn2SiO4_Dofr_v4.agr text/plain 8349be34468e6c10b051c76ebcd27ec7 MD5 1950222 2023-06-25 15:07:47 https://researchdata.bath.ac.uk/1200/89/Fig3_c-Zn2SiO4_Dofr_v4.agr 1200 89 89 text/plain other Figure 3 shows the fitted D'_N(r) and D'_X(r) functions for crystalline Zn_2SiO_4. en public cc_by

Fig3_c-Zn2SiO4_Dofr_v4.agr

data 17229 2 61531 document 17229 Fig4_29Si_NMR.agr text/plain ed69eabb7d5ffdbe942f9cad4175cb93 MD5 344371 2023-06-25 15:11:53 https://researchdata.bath.ac.uk/1200/91/Fig4_29Si_NMR.agr 1200 91 91 text/plain other Figure 4 shows the measured ^{29}Si MAS NMR spectrum for crystalline Zn_2SiO_4. en public cc_by

Fig4_29Si_NMR.agr

data 17230 2 61535 document 17230 Fig13_AlIV_p_and_Q_vs_CFS_v3.agr text/plain 9d1a3199a3d6c4a6cc6e66c7ab81b8e4 MD5 27757 2023-06-25 15:14:10 https://researchdata.bath.ac.uk/1200/92/Fig13_AlIV_p_and_Q_vs_CFS_v3.agr 1200 92 92 text/plain other Figure 13 shows the dependence of the parameters <f_{Al(IV)}>, p and Q on the cation field strength F_M of the M^+ or M^{2+} ions in aluminosilicate glasses. en public cc_by

Fig13_AlIV_p_and_Q_vs_CFS_v3.agr

data 17231 2 61537 document 17231 Fig14_bond_distance_vs_R_v4.agr text/plain f63f85cdd965bf1a34f1266104d20eb9 MD5 69088 2023-06-25 15:15:55 https://researchdata.bath.ac.uk/1200/93/Fig14_bond_distance_vs_R_v4.agr 1200 93 93 text/plain other Figure 14 shows the dependence of the (a) Si-O, (b) Al-O and (c) Zn-O bond distances on the ratio R for glassy ZnAS. en public cc_by

Fig14_bond_distance_vs_R_v4.agr

data 17232 2 61539 document 17232 Fig15_CN_vs_R_v4.agr text/plain d285d82b56f537ffdb53eb8c18559e42 MD5 43821 2023-06-25 15:16:37 https://researchdata.bath.ac.uk/1200/94/Fig15_CN_vs_R_v4.agr 1200 94 94 text/plain other Figure 15 shows the dependence of the (a) Al-O and (b) Zn-O coordination numbers on the ratio R for glassy ZnAS. en public cc_by

Fig15_CN_vs_R_v4.agr

data 17233 2 61541 document 17233 Fig16_bond_distance_vs_Al2O3_50molpc_v4.agr text/plain cfb35f2cbb43fa78540e90b67ba7d694 MD5 86470 2023-06-25 15:17:24 https://researchdata.bath.ac.uk/1200/95/Fig16_bond_distance_vs_Al2O3_50molpc_v4.agr 1200 95 95 text/plain other Figure 16 shows the dependence of the (a) Si-O, (b) Al-O and (c) Zn-O bond distances on the mol% of alumina along the tie-line with 50 mol% silica. en public cc_by

Fig16_bond_distance_vs_Al2O3_50molpc_v4.agr

data 17234 2 61543 document 17234 Fig17_bond_distance_vs_Al2O3_60molpc_v4.agr text/plain d66e2d4c1b171d8dae9c5a84b8ee1197 MD5 82559 2023-06-25 15:18:00 https://researchdata.bath.ac.uk/1200/96/Fig17_bond_distance_vs_Al2O3_60molpc_v4.agr 1200 96 96 text/plain other Figure 17 shows the dependence of the (a) Si-O, (b) Al-O and (c) Zn-O bond distances on the mol% of alumina along the tie-line with 60 mol% silica. en public cc_by

Fig17_bond_distance_vs_Al2O3_60molpc_v4.agr

data 17235 2 61545 document 17235 Fig18_CN_vs_Al2O3_50molpc_v4.agr text/plain 72cc0080b2c9416ab0013115adc57449 MD5 62860 2023-06-25 15:18:35 https://researchdata.bath.ac.uk/1200/97/Fig18_CN_vs_Al2O3_50molpc_v4.agr 1200 97 97 text/plain other Figure 18 shows the dependence of the (a) Al-O and (b) Zn-O coordination numbers on the mol% of alumina along the tie-line with 50 mol% silica. en public cc_by

Fig18_CN_vs_Al2O3_50molpc_v4.agr

data 17236 2 61547 document 17236 Fig19_CN_vs_Al2O3_60molpc_v4.agr text/plain 6c9fc3c5fbe59770b1fda7dfbd0b94ed MD5 57845 2023-06-25 15:19:12 https://researchdata.bath.ac.uk/1200/98/Fig19_CN_vs_Al2O3_60molpc_v4.agr 1200 98 98 text/plain other Figure 19 shows the dependence of the (a) Al-O and (b) Zn-O coordination numbers on the mol% of alumina along the tie-line with 60 mol% silica. en public cc_by

Fig19_CN_vs_Al2O3_60molpc_v4.agr

data 17237 2 61549 document 17237 Fig20_bond_distance_vs_SiO2_tecto_v3.agr text/plain 2e064b432e52755b18a4c076fa4b9c4a MD5 47924 2023-06-25 15:19:47 https://researchdata.bath.ac.uk/1200/99/Fig20_bond_distance_vs_SiO2_tecto_v3.agr 1200 99 99 text/plain other Figure 20 shows the dependence of the (a) Si-O, (b) Al-O and (c) Zn-O bond distances on the mol% of silica along the tectosilicate tie-line where R = 1. en public cc_by

Fig20_bond_distance_vs_SiO2_tecto_v3.agr

data 17238 2 61551 document 17238 Fig21_CN_vs_SiO2_tecto_v3.agr text/plain c255616396060daf85d871404c8fde1f MD5 32000 2023-06-25 15:20:20 https://researchdata.bath.ac.uk/1200/100/Fig21_CN_vs_SiO2_tecto_v3.agr 1200 100 100 text/plain other Figure 21 shows the dependence of the (a) Al-O and (b) Zn-O coordination numbers on the mol% of silica along the tectosilicate tie-line where R = 1. en public cc_by

Fig21_CN_vs_SiO2_tecto_v3.agr

data 17239 2 61553 document 17239 Fig22_NBO_vs_R_v2.agr text/plain 998da9f63963ed7f2665958f92cf5345 MD5 75490 2023-06-25 15:20:55 https://researchdata.bath.ac.uk/1200/101/Fig22_NBO_vs_R_v2.agr 1200 101 101 text/plain other Figure 22 shows the R dependence of (a) f_{NBO} along the 50 mol% silica tie line, (b) f_{NBO} along the 60 mol% silica tie line, and (c) the ratio N_{NBO}/[N_{Mg} + N_{Al_(mcc)}]. en public cc_by

Fig22_NBO_vs_R_v2.agr

data 17240 2 61555 document 17240 Fig23_model_for_ZAS.agr text/plain 7e55afbbe6d4a55e72aec283f8f3e98a MD5 19682 2023-06-25 15:22:01 https://researchdata.bath.ac.uk/1200/102/Fig23_model_for_ZAS.agr 1200 102 102 text/plain other Figure 23 shows the R dependence of f_[Zn_{m}], f_[Zn_{cc}] and N_{NBO}/N_{Zn} predicted by the GYZAS model for ZnAS glasses with p = 0.82. en public cc_by

Fig23_model_for_ZAS.agr

data 17241 2 61557 document 17241 Fig24_MO_gofr_ND.agr text/plain f79a235894c3839799a86a0361635ce9 MD5 53724 2023-06-25 15:22:36 https://researchdata.bath.ac.uk/1200/103/Fig24_MO_gofr_ND.agr 1200 103 103 text/plain other Figure 24 shows the nearest-neighbour M-O (M = Zn or Mg) partial pair-distribution function for MAS_25_50 and MAS_20_60 glasses. en public cc_by

Fig24_MO_gofr_ND.agr

data archive 479 disk0/00/00/12/00 2023-07-31 07:40:12 2024-10-05 04:52:41 2023-07-31 07:40:12 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 WorkPackageLeader Youngman Randall E youngmanre@corning.com 0000-0002-6647-9865 Corning Data sets for "Mapping the structural trends in zinc aluminosilicate glasses" CG0020 CM0040 EM0050 EM0060 GE0030 GE0040 KS0160 dept_physics Data sets used to prepare Figures 2-24 and S1-S8 in the Journal of Chemical Physics article entitled "Mapping the structural trends in zinc aluminosilicate glasses." The data sets refer to the measured and modelled structure of zinc aluminosilicate glasses over a wide range of material compositions. The experimental work employed neutron diffraction, high energy x-ray diffraction and 27Al magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectroscopy. The results show that the coordination environment of zinc is not invariant as previously supposed but changes in a systematic way with the aluminosilicate glass composition. Zinc is an important additive in many commercial and bioactive glasses. 2023-07-31 University of Bath public RightsHolder University of Bath 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 Corning https://doi.org/10.13039/100008280 CM00002159/SA/01 Structural role of magnesium in glass and glass-ceramics 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) United States Department of Energy https://doi.org/10.13039/100000015 DE-AC02-06CH11357 Advanced Photon Source H2020 Marie Skłodowska-Curie Actions https://doi.org/10.13039/100010665 847439 InnovaXN – Doctoral programme for innovators with X-rays and neutrons Corning https://doi.org/10.13039/100008280 CM00003814 InnovaXN – Doctoral programme for innovators with X-rays and neutrons cent_nan 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. 2018-11-26 2023-06-24 en 1 10.15125/BATH-01200 https://doi.org/10.1063/5.0157790 pub open Dataset