Home The role of modifier cations in network cation coordination increases with pressure in aluminosilicate glasses and melts from 1 to 3 GPa
Article
Licensed
Unlicensed Requires Authentication

The role of modifier cations in network cation coordination increases with pressure in aluminosilicate glasses and melts from 1 to 3 GPa

  • Saurav Bista EMAIL logo and Jonathan F. Stebbins
Published/Copyright: July 31, 2017
Become an author with De Gruyter Brill
Author Information
American Mineralogist
From the journal American Mineralogist Volume 102 Issue 8

Abstract

Previous studies have shown that both NBO content and modifier cation field strength play important roles in increasing the network cation coordination with increasing pressure. It has been observed in previous studies that the increase in average Al coordination with pressure in alkali aluminosilicates depends on NBO concentration, where large increases in Al coordination with pressure have been observed for compositions containing significant concentrations of NBO and little or no Al coordination increase observed in glasses containing negligible NBO at pressures ranging from 1 to 3 GPa. Similarly, in NBO rich aluminosilicates and aluminoborosilicates containing different modifier cations, it was reported that the increase in average Al coordination followed a steeper rise with increasing pressure in compositions containing higher field strength modifiers. In this study, we look at Ca- and Mg-aluminosilicate glasses across all three compositional regimes (peralkaline, metaluminous, and peraluminous) to study the effect of both oxygen speciation and modifier cation field strength on network cation coordination changes with pressure. Our study shows that in Mg aluminosilicate glasses (both peralkaline and metaluminous), the increase in average Al coordination can be quite large and show no significant impact from differences in oxygen speciation (NBO content). In contrast, in Ca-aluminosilicate glasses, the oxygen speciation has a notable impact with the average Al coordination following a steeper rise with increasing pressure in a peralkaline composition and less steep for a metaluminous composition.

Keywords: High pressure; glasses and melts; NMR spectroscopy; aluminum coordination; non-bridging oxygen; cation field strength; densification; aluminosilicate

Special collection papers can be found online at http://www.minsocam.org/MSA/AmMin/special-collections.html.

Acknowledgments

We thank Jodi Puglisi and Corey Liu for access to the 18.8 T spectrometer at the Stanford Magnetic Resonance Laboratory. We thank Thomas W. Sisson and William B. Hankins at the USGS, Menlo Park for support and access to the high-pressure apparatus. This work was supported by NSF grant EAR-1521055.

References Cited

Allwardt, J.R., Schmidt, B.C., and Stebbins, J.F. (2004) Structural mechanisms of compression and decompression in high-pressure K2Si4O9 glasses: an investigation utilizing Raman and NMR spectroscopy of glasses and crystalline materials. Chemical Geology, 213, 137–151.10.1016/j.chemgeo.2004.08.038Search in Google Scholar

Allwardt, J.R., Stebbins, J.F., Schmidt, B.C., Frost, D.J., Withers, A.C., and Hirschmann, M.M. (2005a) Aluminum coordination and the densification of high-pressure aluminosilicate glasses. American Mineralogist, 90, 1218–1222.10.2138/am.2005.1836Search in Google Scholar

Allwardt, J.R., Stebbins, J.F., Schmidt, B.C., and Frost, D.J. (2005b) The effect of composition, compression, and decompression on the structure of high-pressure aluminosilicate glasses. An investigation utilizing 17O and 27Al NMR. In Advances in High-Pressure Techniques for Geophysical Applications pp. 211–240. Elsevier.10.1016/B978-044451979-5/50013-2Search in Google Scholar

Allwardt, J.R., Poe, B.T., and Stebbins, J.F. (2005c) The effect of fictive temperature on Al coordination in high-pressure (10 GPa) sodium aluminosilicate glasses. American Mineralogist, 90, 1453–1457.10.2138/am.2005.1736Search in Google Scholar

Allwardt, J.R., Stebbins, J.F., Terasaki, H., Du, L.-S., Frost, D.J., Withers, A.C., Hirschmann, M.M., Suzuki, A., and Ohtani, E. (2007) Effect of structural transitions on properties of high-pressure silicate melts: 27Al NMR, glass densities, and melt viscosities. American Mineralogist, 92, 1093–1104.10.2138/am.2007.2530Search in Google Scholar

Bagdassarov, N.S., Maumus, J., Poe, B., Slutskiy, A.B., and Bulatov, V.K. (2004) Pressure dependence of Tg in silicate glasses from electrical impedance measurements. Physics and Chemistry of Glasses, 45, 197–214.Search in Google Scholar

Bista, S., O’Donovan-Zavada, A., Mullenbach, T., Franke, M., Affatigato, M., and Feller, S. (2009) Packing in alkali and alkaline earth borosilicate glass systems. Physics and Chemistry of Glasses: European Journal of Glass Science and Technology Part B, 50, 224–228.Search in Google Scholar

Bista, S., Stebbins, J.F., Hankins, W.B., and Sisson, T.W. (2015) Aluminosilicate melts and glasses at 1 to 3 GPa: Temperature and pressure effects on recovered structural and density changes. American Mineralogist, 100, 2298–2307.10.2138/am-2015-5258Search in Google Scholar

Bista, S., Morin, E.I., and Stebbins, J.F. (2016) Response of complex networks to compression: Ca, La, and Y aluminoborosilicate glasses formed from liquids at 1 to 3 GPa pressures. Journal of Chemical Physics, 144, 044502.10.1063/1.4940691Search in Google Scholar PubMed

Brown, G.E., Farges, F., and Calas, G. (1995) X-ray scattering and X-ray spectroscopy studiess of silicate melts. In J.F. Stebbins, P.F. McMillan, and D.B. Dingwell, Eds., Structure, Dynamics, and Properties of Silicate Melts, 32, p. 317–401. Reviews in Mineralogy, Mineralogical Society of America, Chantilly, Virginia.10.1515/9781501509384-011Search in Google Scholar

Farber, D.L., and Williams, Q. (1996) An in situ Raman spectroscopic study of Na2Si2O5 at high pressures and temperatures: Structures of compressed liquids and glasses. American Mineralogist, 81, 273–283.10.2138/am-1996-3-402Search in Google Scholar

Gaudio, P.D., and Behrens, H. (2009) An experimental study on the pressure dependence of viscosity in silicate melts An experimental study on the pressure dependence of viscosity. The Journal of Chemical Physics, 131, 044504.10.1063/1.3169455Search in Google Scholar PubMed

Gaudio, S.J., Lesher, C.E., Maekawa, H., and Sen, S. (2015) Linking high-pressure structure and density of albite liquid near the glass transition. Geochimica et Cosmochimica Acta, 157, 28–38.10.1016/j.gca.2015.02.017Search in Google Scholar

Ghosh, D.B., Karki, B.B., and Stixrude, L. (2014) First-principles molecular dynamics simulations of MgSiO3 glass: Structure, density, and elasticity at high pressure. American Mineralogist, 99, 1304–1314.10.2138/am.2014.4631Search in Google Scholar

Januchta, K., Youngman, R.E., Goel, A., Bauchy, M., Rzoska, S.J., Bockowski, M., and Smedskjaer, M.M. (2017) Structural origin of high crack resistance in sodium aluminoborate glasses. Journal of Non-Crystalline Solids, 460, 54–65.10.1016/j.jnoncrysol.2017.01.019Search in Google Scholar

Karki, B.B., Bohara, B., and Stixrude, L. (2011) First-principles study of diffusion and viscosity of anorthite (CaAl2Si2O8) liquid at high pressure. American Mineralogist, 96, 744–751.10.2138/am.2011.3646Search in Google Scholar

Kelsey, K.E., Stebbins, J.F., Singer, D.M., Brown, G.E., Mosenfelder, J.L., and Asimow, P.D. (2009a) Cation field strength effects on high pressure aluminosilicate glass structure: Multinuclear NMR and La XAFS results. Geochimica et Cosmochimica Acta, 73, 3914–3933.10.1016/j.gca.2009.03.040Search in Google Scholar

Kelsey, K.E., Stebbins, J.F., Mosenfelder, J.L., and Asimow, P.D. (2009b) Simultaneous aluminum, silicon, and sodium coordination changes in 6 GPa sodium aluminosilicate glasses. American Mineralogist, 94, 1205–1215.10.2138/am.2009.3177Search in Google Scholar

Lee, S.K. (2003) Order and disorder in sodium silicate glasses and melts at 10 GPa. Geophysical Research Letters, 30, 1845.10.1029/2003GL017735Search in Google Scholar

Lee, S.K. (2004) Structure of silicate glasses and melts at high pressure: quantum chemical calculations and solid-state NMR. The Journal of Physical Chemistry B, 108, 5889–5900.10.1021/jp037575dSearch in Google Scholar

Lee, S.K., Cody, G.D., Fei, Y., and Mysen, B.O. (2004) Nature of polymerization and properties of silicate melts and glasses at high pressure. Geochimica et Cosmochimica Acta, 68, 4189–4200.10.1016/j.gca.2004.04.002Search in Google Scholar

Lee, S.K., Yi, Y.S., Cody, G.D., Mibe, K., Fei, Y., and Mysen, B.O. (2012) Effect of network polymerization on the pressure-induced structural changes in sodium aluminosilicate glasses and melts: 27Al and 17O solid-state NMR study. Journal of Physical Chemistry C, 116, 2183–2191.10.1021/jp206765sSearch in Google Scholar

MacKenzie, K., and Smith, M.E. (2002) Multinuclear Solid-State Nuclear Magnetic Resonance of Inorganic Materials. Pergamon.Search in Google Scholar

Malfait, W.J., Verel, R., Ardia, P., and Sanchez-Valle, C. (2012) Aluminum coordination in rhyolite and andesite glasses and melts: Effect of temperature, pressure, composition and water content. Geochimica et Cosmochimica Acta, 77, 11–26.10.1016/j.gca.2011.11.011Search in Google Scholar

Malfait, W.J., Seifert, R., and Sanchez-Valle, C. (2014) Densified glasses as structural proxies for high-pressure melts: Configurational compressibility of silicate melts retained in quenched and decompressed glasses. American Mineralogist, 99, 2142–2145.10.2138/am-2014-5019Search in Google Scholar

Massiot, D., Fayon, F., Capron, M., King, I., Le Calvé, S., Alonso, B., Durand, J.-O., Bujoli, B., Gan, Z., and Hoatson, G. (2002) Modelling one- and two-dimensional solid-state NMR spectra. Magnetic Resonance in Chemistry, 40, 70–76.10.1002/mrc.984Search in Google Scholar

McMillan, P.F., and Wilding, M.C. (2009) High-pressure effects on liquid viscosity and glass transition behaviour, polyamorphic phase transitions and structural properties of glasses and liquids. Journal of Non-Crystalline Solids, 355, 722–732.10.1016/j.jnoncrysol.2009.01.036Search in Google Scholar

Neuville, D.R., Cormier, L., Montouillout, V., Florian, P., Millot, F., Rifflet, J.-C., and Massiot, D. (2008) Structure of Mg- and Mg/Ca aluminosilicate glasses: 27Al NMR and Raman spectroscopy investigations. American Mineralogist, 93, 1721–1731.10.2138/am.2008.2867Search in Google Scholar

Sen, S., Topping, T., Yu, P., and Youngman, R. (2007) Atomic-scale understanding of structural relaxation in simple and complex borosilicate glasses. Physical Review B, 75, 094203.10.1103/PhysRevB.75.094203Search in Google Scholar

Shannon, R.D. (1976) Revised effective ionic radii and systematic studies of interatomic distances in halides and chaleogenides. Acta Crystallographica, A32, 751.10.1107/S0567739476001551Search in Google Scholar

Stebbins, J.F. (2016) Glass structure, melt structure, and dynamics: Some concepts for petrology. American Mineralogist, 101, 753–768.10.2138/am-2016-5386Search in Google Scholar

Stebbins, J.F., and McMillan, P.F. (1989) Five- and six-coordinated Si in K2Si4O9 glass quenched from 1.9 GPa and 1200 °C. American Mineralogist, 74, 965–968.Search in Google Scholar

Stebbins, J.F., Dubinsky, E.V., Kanehashi, K., and Kelsey, K.E. (2008) Temperature effects on non-bridging oxygen and aluminum coordination number in calcium aluminosilicate glasses and melts. Geochimica et Cosmochimica Acta, 72, 910–925.10.1016/j.gca.2007.11.018Search in Google Scholar

Striepe, S., Smedskjaer, M.M., Deubener, J., Bauer, U., Behrens, H., Potuzak, M., Youngman, R.E., Mauro, J.C., and Yue, Y. (2013) Elastic and micromechanical properties of isostatically compressed soda–lime–borate glasses. Journal of Non-Crystalline Solids, 364, 44–52.10.1016/j.jnoncrysol.2013.01.009Search in Google Scholar

Thompson, L.M., and Stebbins, J.F. (2011) Non-bridging oxygen and high-coordinated aluminum in metaluminous and peraluminous calcium and potassium aluminosilicate glasses: High-resolution 17O and 27Al MAS NMR results. American Mineralogist, 96, 841–853.10.2138/am.2011.3680Search in Google Scholar

Wang, Y., Sakamaki, T., Skinner, L.B., Jing, Z., Yu, T., Kono, Y., Park, C., Shen, G., Rivers, M.L., and Sutton, S.R. (2014) Atomistic insight into viscosity and density of silicate melts under pressure. Nature Communications, 5, 3241.10.1038/ncomms4241Search in Google Scholar PubMed

Wolf, G.H., Durben, D.J., and McMillan, P.F. (1990) High-pressure Raman spectroscopic study of sodium tetrasilicate (Na2Si4O9) glass. The Journal of Chemical Physics, 93, 2280.10.1063/1.459007Search in Google Scholar

Wondraczek, L., Behrens, H., Yue, Y., Deubener, J., and Scherer, G.W. (2007) Relaxation and glass transition in an isostatically compressed diopside glass. Journal of the American Ceramic Society, 90, 1556–1561.10.1111/j.1551-2916.2007.01566.xSearch in Google Scholar

Wondraczek, L., Krolikowski, S., Behrens, H., Wondraczek, L., Krolikowski, S., and Behrens, H. (2009) Relaxation and Prigogine–Defay ratio of compressed glasses with negative viscosity-pressure dependence. Journal of Chemical Physics, 130, 204506.10.1063/1.3141382Search in Google Scholar PubMed

Wondraczek, L., Krolikowski, S., and Behrens, H. (2010) Kinetics of pressure relaxation in a compressed alkali borosilicate glass. Journal of Non-Crystalline Solids, 356, 1859–1862.10.1016/j.jnoncrysol.2010.06.009Search in Google Scholar

Xue, X., Kanzaki, M., Tr⊘nnes, R.G., and Stebbins, J.F. (1988) Silicon coordination and speciation changes in a silicate liquid at high pressures. Science, 699, 1987–1990.10.1126/science.245.4921.962Search in Google Scholar PubMed

Xue, X., Stebbins, J.F., Kanzaki, M., McMillan, P.F., and Poe, B. (1991) Pressure-induced silicon coordination and tetrahedral structural changes in alkali oxide-silica melts up to 12 GPa: NMR, Raman, and infrared spectroscopy. American Mineralogist, 76, 8–26.Search in Google Scholar

Yarger, J.L., Smith, K.H., Nieman, R.A., Diefenbacher, J., Wolf, G.H., Poe, B.T., and McMillan, P.F. (1995) Al coordination changes in high-pressure aluminosilicate liquids. Science, 270, 1964–1967.10.1126/science.270.5244.1964Search in Google Scholar

Zeidler, A., Salmon, P.S., and Skinner, L.B. (2014) Packing and the structural transformations in liquid and amorphous oxides from ambient to extreme conditions. Proceedings of the National Academy of Sciences, 111, 10,045–10,048.10.1073/pnas.1405660111Search in Google Scholar PubMed PubMed Central

Received: 2017-1-18
Accepted: 2017-4-23
Published Online: 2017-7-31
Published in Print: 2017-8-28

© 2017 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  2. How many boron minerals occur in Earth’s upper crust?
  3. Outlooks in Earth and Planetary Materials
  4. Network analysis of mineralogical systems
  5. Special collection: From magmas to ore deposits
  6. Geochemistry of the Cretaceous Kaskanak Batholith and genesis of the Pebble porphyry Cu-Au-Mo deposit, Southwest Alaska
  7. Special collection: From magmas to ore deposits
  8. Physicochemical controls on bismuth mineralization: An example from Moutoulas, Serifos Island, Cyclades, Greece
  9. Special collection: Earth analogs for martian geological materials and processes
  10. Geochemistry and mineralogy of a saprolite developed on Columbia River Basalt: Secondary clay formation, element leaching, and mass balance during weathering
  11. Special collection: Apatite: A common mineral, uncommonly versatile
  12. An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer
  13. Special collection: Dynamics of magmatic processes
  14. The role of modifier cations in network cation coordination increases with pressure in aluminosilicate glasses and melts from 1 to 3 GPa
  16. Nitrides and carbonitrides from the lowermost mantle and their importance in the search for Earth’s “lost” nitrogen
  18. Accounting for the species-dependence of the 3500 cm−1 H2Ot infrared molar absorptivity coefficient: Implications for hydrated volcanic glasses
  20. A finite strain approach to thermal expansivity’s pressure dependence
  22. Ilmenite breakdown and rutile-titanite stability in metagranitoids: Natural observations and experimental results
  24. Single-crystal equations of state of magnesiowüstite at high pressures
  26. Analysis of erionites from volcaniclastic sedimentary rocks and possible implications for toxicological research
  28. Reconstructive phase transitions induced by temperature in gmelinite-Na zeolite
  30. Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia
  32. How to facet gem-quality chrysoberyl: Clues from the relationship between color and pleochroism, with spectroscopic analysis and colorimetric parameters
  33. Letter
  34. Mn-Fe systematics in major planetary body reservoirs in the solar system and the positioning of the Angrite Parent Body: A crystal-chemical perspective
  35. Letter
  36. Dolomite-IV: Candidate structure for a carbonate in the Earth’s lower mantle
  37. Book Review
  38. Book Review
https://doi.org/10.2138/am-2017-6081
Keywords for this article
High pressure; glasses and melts; NMR spectroscopy; aluminum coordination; non-bridging oxygen; cation field strength; densification; aluminosilicate

Articles in the same Issue

  2. How many boron minerals occur in Earth’s upper crust?
  3. Outlooks in Earth and Planetary Materials
  4. Network analysis of mineralogical systems
  5. Special collection: From magmas to ore deposits
  6. Geochemistry of the Cretaceous Kaskanak Batholith and genesis of the Pebble porphyry Cu-Au-Mo deposit, Southwest Alaska
  7. Special collection: From magmas to ore deposits
  8. Physicochemical controls on bismuth mineralization: An example from Moutoulas, Serifos Island, Cyclades, Greece
  9. Special collection: Earth analogs for martian geological materials and processes
  10. Geochemistry and mineralogy of a saprolite developed on Columbia River Basalt: Secondary clay formation, element leaching, and mass balance during weathering
  11. Special collection: Apatite: A common mineral, uncommonly versatile
  12. An ab-initio study of the energetics and geometry of sulfide, sulfite, and sulfate incorporation into apatite: The thermodynamic basis for using this system as an oxybarometer
  13. Special collection: Dynamics of magmatic processes
  14. The role of modifier cations in network cation coordination increases with pressure in aluminosilicate glasses and melts from 1 to 3 GPa
  16. Nitrides and carbonitrides from the lowermost mantle and their importance in the search for Earth’s “lost” nitrogen
  18. Accounting for the species-dependence of the 3500 cm−1 H2Ot infrared molar absorptivity coefficient: Implications for hydrated volcanic glasses
  20. A finite strain approach to thermal expansivity’s pressure dependence
  22. Ilmenite breakdown and rutile-titanite stability in metagranitoids: Natural observations and experimental results
  24. Single-crystal equations of state of magnesiowüstite at high pressures
  26. Analysis of erionites from volcaniclastic sedimentary rocks and possible implications for toxicological research
  28. Reconstructive phase transitions induced by temperature in gmelinite-Na zeolite
  30. Smoking gun for thallium geochemistry in volcanic arcs: Nataliyamalikite, TlI, a new thallium mineral from an active fumarole at Avacha Volcano, Kamchatka Peninsula, Russia
  32. How to facet gem-quality chrysoberyl: Clues from the relationship between color and pleochroism, with spectroscopic analysis and colorimetric parameters
  33. Letter
  34. Mn-Fe systematics in major planetary body reservoirs in the solar system and the positioning of the Angrite Parent Body: A crystal-chemical perspective
  35. Letter
  36. Dolomite-IV: Candidate structure for a carbonate in the Earth’s lower mantle
  37. Book Review
  38. Book Review
Sign up now to receive a 20% welcome discount
Institutional Access
How does access work?
Have an idea on how to improve our website?
Please write us.
© 2025 De Gruyter Brill
Downloaded on 25.10.2025 from https://www.degruyterbrill.com/document/doi/10.2138/am-2017-6081/html
Scroll to top button