Correlations between 17O NMR parameters and local structure around oxygen in high-pressure silicates: implications for the structure of silicate melts at high pressure

Xue Xianyu Xue, J. F. Stebbins, Masami Kanzaki

Research output: Contribution to journalArticle

100 Citations (Scopus)

Abstract

In order to understand the correlations between 17O NMR parameters and the local structure around O in high-pressure silicates, 17O MAS and static NMR spectra on several crystalline alkali silicate and silica phases, as well as on ambient pressure glasses have been obtained. The results show that 17O NMR is capable of distinguishing nonbridging O atoms (NBO), bridging atoms (BO: [4]Si-O-[4]Si), O atoms in the [4]Si-O-[6]Si linkage, and O atoms coordinated to three [6]Si ([3]O). NBO are characterized by small quadrupolar coupling constants (e2qQ/h, ~2.3 MHz), but their isotropic chemical shifts (δi) are very sensitive to the type of network-modifying cations. 17O NMR has also been applied to study the structure of alkali silicate glasses quenched from melts at high pressure. -from Authors

Original languageEnglish
Pages (from-to)31-42
Number of pages12
JournalAmerican Mineralogist
Volume79
Issue number1-2
Publication statusPublished - 1994
Externally publishedYes

Fingerprint

Silicates
silicate melt
nuclear magnetic resonance
silicates
silicate
Nuclear magnetic resonance
Oxygen
Atoms
oxygen
atoms
Alkalies
glass
alkalies
MAS
Glass
Chemical shift
linkages
silica
cation
Silicon Dioxide

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics

Cite this

@article{41f2367818d04a8c8854a6a2bbf251c3,
title = "Correlations between 17O NMR parameters and local structure around oxygen in high-pressure silicates: implications for the structure of silicate melts at high pressure",
abstract = "In order to understand the correlations between 17O NMR parameters and the local structure around O in high-pressure silicates, 17O MAS and static NMR spectra on several crystalline alkali silicate and silica phases, as well as on ambient pressure glasses have been obtained. The results show that 17O NMR is capable of distinguishing nonbridging O atoms (NBO), bridging atoms (BO: [4]Si-O-[4]Si), O atoms in the [4]Si-O-[6]Si linkage, and O atoms coordinated to three [6]Si ([3]O). NBO are characterized by small quadrupolar coupling constants (e2qQ/h, ~2.3 MHz), but their isotropic chemical shifts (δi) are very sensitive to the type of network-modifying cations. 17O NMR has also been applied to study the structure of alkali silicate glasses quenched from melts at high pressure. -from Authors",
author = "{Xianyu Xue}, Xue and Stebbins, {J. F.} and Masami Kanzaki",
year = "1994",
language = "English",
volume = "79",
pages = "31--42",
journal = "American Mineralogist",
issn = "0003-004X",
publisher = "Mineralogical Society of America",
number = "1-2",

}

TY - JOUR

T1 - Correlations between 17O NMR parameters and local structure around oxygen in high-pressure silicates

T2 - implications for the structure of silicate melts at high pressure

AU - Xianyu Xue, Xue

AU - Stebbins, J. F.

AU - Kanzaki, Masami

PY - 1994

Y1 - 1994

N2 - In order to understand the correlations between 17O NMR parameters and the local structure around O in high-pressure silicates, 17O MAS and static NMR spectra on several crystalline alkali silicate and silica phases, as well as on ambient pressure glasses have been obtained. The results show that 17O NMR is capable of distinguishing nonbridging O atoms (NBO), bridging atoms (BO: [4]Si-O-[4]Si), O atoms in the [4]Si-O-[6]Si linkage, and O atoms coordinated to three [6]Si ([3]O). NBO are characterized by small quadrupolar coupling constants (e2qQ/h, ~2.3 MHz), but their isotropic chemical shifts (δi) are very sensitive to the type of network-modifying cations. 17O NMR has also been applied to study the structure of alkali silicate glasses quenched from melts at high pressure. -from Authors

AB - In order to understand the correlations between 17O NMR parameters and the local structure around O in high-pressure silicates, 17O MAS and static NMR spectra on several crystalline alkali silicate and silica phases, as well as on ambient pressure glasses have been obtained. The results show that 17O NMR is capable of distinguishing nonbridging O atoms (NBO), bridging atoms (BO: [4]Si-O-[4]Si), O atoms in the [4]Si-O-[6]Si linkage, and O atoms coordinated to three [6]Si ([3]O). NBO are characterized by small quadrupolar coupling constants (e2qQ/h, ~2.3 MHz), but their isotropic chemical shifts (δi) are very sensitive to the type of network-modifying cations. 17O NMR has also been applied to study the structure of alkali silicate glasses quenched from melts at high pressure. -from Authors

UR - http://www.scopus.com/inward/record.url?scp=0028315229&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0028315229&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0028315229

VL - 79

SP - 31

EP - 42

JO - American Mineralogist

JF - American Mineralogist

SN - 0003-004X

IS - 1-2

ER -