Solid-state NMR and IR spectroscopic investigation of the role of structural water and F in carbonate-rich fluorapatite
Abstract
We have studied the substitutions in a natural well-crystallized carbonate-containing apatite-(CaF) (var. staffelite) using infrared (IR) and solid-state nuclear magnetic resonance (NMR) spectroscopic techniques. Our results show the presence of both A- and B-type carbonate plus a large amount of structural water (0.44 pfu). This sample also contains 0.21 pfu excess F, but only weak C-F dipolar coupling is observed indicating that a tetrahedral CO 3 F 3- complex does not occur. 19 F NMR results indicate the presence of a second F environment in the apatite structure at a concentration similar to that of B-type carbonate but which does not differ from channel F in terms of coupling to 31 P or 1 H.
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The water associated with 13C in milled wollastonite is rigidly bound structural water, not fluid inclusions or surface sorbed.
“the strong sideband pattern presented indicates that the water is rigidly bound structural water and not fluid inclusions or surface sorbed [38, 39].”
From Mechanochemical formation of highly stable amorphous calcium carbonate in calcium silicates: Potential long-term storage of CO2 in cement (2024) · cites this paper as [38]
Cites
Characterization of hydrous species in minerals by high-speed proton MAS-NMR
Yesinowski, J. P., Eckert, H., & Rossman, G. R. (1988) · Journal of the American Chemical Society · doi:10.1021/ja00213a007 · Cited by 200 · see citing works
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Vaughn, J. S., Marple, M. A. T., & Mason, H. E. (2024) · Cement and Concrete Research · doi:10.1016/j.cemconres.2023.107413 · Cited by 18 · see citing works
Self-citation
- Authors
- Mason, H. E., McCubbin, F. M., Smirnov, A., & Phillips, B. L.
- Affiliations
- Stony Brook University (US)
- Carnegie Institution for Science (US)
- Corresponding author
- Mason, H. E.
- Venue
- American Mineralogist
- Publisher
- Mineralogical Society of America
- Published
- 2009-04-01
- Volume
- 94
- Issue
- 4
- Pages
- 507-516
- ISSN
- 0003-004X (ISSN-L)
- OpenAlex
- W2012430584
- Cited by
- 72
- References
- 1
- Citations by year
- 2025: 3 · 2024: 3 · 2023: 4 · 2022: 4 · 2021: 5 · 2020: 6 · 2018: 4 · 2017: 7 · 2016: 4 · 2015: 5 · 2014: 10 · 2013: 5 · 2012: 4
- FWCI
- 5.77
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- American Mineralogist (publishedVersion)
- Topics
- Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Mineralogy and Gemology Studies
- Physical Sciences › Materials Science › Materials Chemistry › Nuclear materials and radiation effects
- Physical Sciences › Materials Science › Materials Chemistry › Solid-state spectroscopy and crystallography
- Keywords
- fluorapatite, carbonate substitution, structural water, fluorine substitution, 19F NMR, 31P NMR, crystal structure, apatite
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