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Bonding preferences of non-bridging O atoms: Evidence from 17O MAS and 3QMAS NMR on calcium aluminate and low-silica Ca-aluminosilicate glasses

  • Jeffrey R. Allwardt EMAIL logo , Sung Keun Lee and Jonathan F. Stebbins
Published/Copyright: March 31, 2015
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American Mineralogist
From the journal American Mineralogist Volume 88 Issue 7

Abstract

The fraction of O atoms as non-bridging O atoms (NBO) can be well approximated based on composition alone in many silicate glasses, but the NBO preference for specific network forming cations is much less well known. Using oxygen-17 (17O) NMR on low-silica calcium aluminosilicate (CAS) glasses, this study shows that Al-NBO (155 ppm) can be readily distinguished from Si-NBO (110-120 ppm), and that there is a strong preference for the latter. This study also presents a consistent equilibrium constant formulation that indicates that for thermodynamic modeling of most CAS melts with Si > Al, Al-NBO are of minor importance, although they could be significant in some models of diffusion and viscosity. Al-27 one pulse NMR and analyses of spinning side bands show that AlO5 and AlO6 species are below detection limits (<0.5%) in the low-silica (SiO2 ≤ 20 mol%) glasses of this study (NBO/T = 0.6 to 0.8). In addition, 17O MAS NMR does not detect any obvious (<2%?) Al3O triclusters; hence calculations of NBO assignments can be assigned unambiguously.

Received: 2002-7-10
Accepted: 2002-12-19
Published Online: 2015-3-31
Published in Print: 2003-7-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Bonding preferences of non-bridging O atoms: Evidence from 17O MAS and 3QMAS NMR on calcium aluminate and low-silica Ca-aluminosilicate glasses
  2. BNa–BLi solid-solution in A-site-vacant amphiboles: synthesis and cation ordering along the ferri-clinoferroholmquistite–riebeckite join
  3. A new uranyl carbonate sheet in the crystal structure of fontanite, Ca[(UO2)3(CO3)2O2](H2O)6
  4. XANES calibrations for the oxidation state of iron in a silicate glass
  5. Dissolution of strontianite at high P-T conditions: An in-situ synchrotron X-ray fluorescence study
  6. Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: An electron-microprobe and Rietveld study
  7. Bulk moduli and high-pressure crystal structures of minium, Pb3O4, determined by X-ray powder diffraction
  8. Slow oxygen diffusion rates in igneous zircons from metamorphic rocks
  9. Chemistry of grain boundaries in mantle rocks
  10. Heats of mixing of silicate liquid in the systems diopside-anorthite-akermanite, diopside-anorthite-forsterite, and diopside-silica
  11. High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of anisotropic compression in pyroxenes
  12. Monte Carlo simulations of ordering of Al, Fe, and Mg cations in the octahedral sheet of smectites and illites
  13. Influence of F content on the composition of Al-rich synthetic phlogopite: Part II. Probing the structural arrangement of aluminum in tetrahedral and octahedral layers by 27Al MQMAS and 1H/19F-27Al HETCOR and REDOR experiments
  14. Dawsonite: An inclusion mineral in quartz from the Tin Mountain pegmatite, Black Hills, South Dakota
  15. Hydrogen-bonded water in laumontite II: Experimental determination of site-specific thermodynamic properties of hydration of the W1 and W5 sites
  16. High P-T phase relations and stability of a (21)-hydrous clinopyribole in the system K2ONa2O- CaO-MgO-Al2O3-SiO2-H2O: An experimental study to 18 GPa
  17. The crystal chemistry of julgoldite-Fe3+ from Bombay, India, studied using synchrotron X-ray powder diffraction and 57Fe Mössbauer spectroscopy
  18. Partitioning of Sr, Ba, Rb, Y, and LREE between plagioclase and peraluminous silicic magma
  19. Infrared and TEM characterization of amphiboles synthesized near the tremolite-pargasite join in the ternary system tremolite-pargasite-cummingtonite
  20. Coupling between non-convergent ordering and transition temperature in the C2/c ↔ P21/c phase transition in pigeonite
  21. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part I. Paramagnetic spectra of magnesian hedenbergite
  22. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part II. Magnetic spectra of magnesian hedenbergite
  23. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part III. Diopside
  24. Letters. Aluminum substitution in MgSiO3 perovskite: Investigation of multiple mechanisms by 27Al NMR
  25. Studtite, [(UO2)(O2)(H2O)2](H2O)2: The first structure of a peroxide mineral
  26. Nanometer-scale measurements of iron oxidation states of cronstedtite from primitive meteorites
https://doi.org/10.2138/am-2003-0701

Articles in the same Issue

  1. Bonding preferences of non-bridging O atoms: Evidence from 17O MAS and 3QMAS NMR on calcium aluminate and low-silica Ca-aluminosilicate glasses
  2. BNa–BLi solid-solution in A-site-vacant amphiboles: synthesis and cation ordering along the ferri-clinoferroholmquistite–riebeckite join
  3. A new uranyl carbonate sheet in the crystal structure of fontanite, Ca[(UO2)3(CO3)2O2](H2O)6
  4. XANES calibrations for the oxidation state of iron in a silicate glass
  5. Dissolution of strontianite at high P-T conditions: An in-situ synchrotron X-ray fluorescence study
  6. Intergrown niobian rutile phases with Sc- and W-rich ferrocolumbite: An electron-microprobe and Rietveld study
  7. Bulk moduli and high-pressure crystal structures of minium, Pb3O4, determined by X-ray powder diffraction
  8. Slow oxygen diffusion rates in igneous zircons from metamorphic rocks
  9. Chemistry of grain boundaries in mantle rocks
  10. Heats of mixing of silicate liquid in the systems diopside-anorthite-akermanite, diopside-anorthite-forsterite, and diopside-silica
  11. High-pressure crystal structure of kosmochlor, NaCrSi2O6, and systematics of anisotropic compression in pyroxenes
  12. Monte Carlo simulations of ordering of Al, Fe, and Mg cations in the octahedral sheet of smectites and illites
  13. Influence of F content on the composition of Al-rich synthetic phlogopite: Part II. Probing the structural arrangement of aluminum in tetrahedral and octahedral layers by 27Al MQMAS and 1H/19F-27Al HETCOR and REDOR experiments
  14. Dawsonite: An inclusion mineral in quartz from the Tin Mountain pegmatite, Black Hills, South Dakota
  15. Hydrogen-bonded water in laumontite II: Experimental determination of site-specific thermodynamic properties of hydration of the W1 and W5 sites
  16. High P-T phase relations and stability of a (21)-hydrous clinopyribole in the system K2ONa2O- CaO-MgO-Al2O3-SiO2-H2O: An experimental study to 18 GPa
  17. The crystal chemistry of julgoldite-Fe3+ from Bombay, India, studied using synchrotron X-ray powder diffraction and 57Fe Mössbauer spectroscopy
  18. Partitioning of Sr, Ba, Rb, Y, and LREE between plagioclase and peraluminous silicic magma
  19. Infrared and TEM characterization of amphiboles synthesized near the tremolite-pargasite join in the ternary system tremolite-pargasite-cummingtonite
  20. Coupling between non-convergent ordering and transition temperature in the C2/c ↔ P21/c phase transition in pigeonite
  21. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part I. Paramagnetic spectra of magnesian hedenbergite
  22. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part II. Magnetic spectra of magnesian hedenbergite
  23. 57Fe Mössbauer-effect studies of Ca-rich, Fe-bearing clinopyroxenes: Part III. Diopside
  24. Letters. Aluminum substitution in MgSiO3 perovskite: Investigation of multiple mechanisms by 27Al NMR
  25. Studtite, [(UO2)(O2)(H2O)2](H2O)2: The first structure of a peroxide mineral
  26. Nanometer-scale measurements of iron oxidation states of cronstedtite from primitive meteorites
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