Identification and composition of carbonate minerals of the calcite structure by Raman and infrared spectroscopies using portable devices
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A portable Raman device with a 532 nm excitation laser and a portable infrared spectrometer with ATR (Attenuated Total Reflection) mode were used to analyse the spectral features associated with the identification and compositional variation of Ca-Mg-Fe-Mn natural carbonate minerals with a calcite structure (calcite, ankerite, dolomite, siderite, rhodochrosite, and magnesite). A systematic study of the variations of the peak positions with various compositional ratios was carried out. Most of the band positions were shifted to lower wavenumbers with increasing ionic radius or atomic mass of the divalent cations but the band of the translational lattice (T) mode in Raman and the symmetric bending (ν4) band in the mid-infrared were the most sensitive. Therefore, the elemental variation of the Ca-Mg-Fe-Mn ratio in this carbonate series can be estimated from Raman and infrared band positions from spectra acquired with portable spectrometers.
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Spectral databases of Raman spectra for carbonates are still limited, especially for their solid-solution systems.
“Despite these advantages, spectral databases of Raman spectra for carbonates are still limited especially for their solid-solution systems [2, 15, 21–30].”
From Micro-Raman spectroscopic analysis on natural carbonates: linear relations found via biaxial plotting of peak frequencies for cation substituted species (2022) · cites this paper as [15]
Kim et al. and Rividi et al. found a trend between the relative amount of Mg2+ and peak frequencies of the T and L modes, but unique determination of Mg-Fe2+-Mn2+ composition by Raman micro-spectroscopy has not been achieved.
“While they found a trend between the relative amount of Mg2+ and peak frequencies of T and L modes, the unique determination of Mg–Fe2+–Mn2+ composition by Raman micro-spectroscopy has not been achieved.”
From Micro-Raman spectroscopic analysis on natural carbonates: linear relations found via biaxial plotting of peak frequencies for cation substituted species (2022) · cites this paper as [15]
The Mg/(Mg+Fe) ratio of the ankerite prepared here is expected to be about 0.7, based on comparison with literature data.
“By comparing the literature and the data obtained in the present study, Mg / (Mg + Fe) ratio of ankerite prepared here is expected to be about 0.7.”
From Micro-Raman spectroscopic analysis on natural carbonates: linear relations found via biaxial plotting of peak frequencies for cation substituted species (2022) · cites this paper as [15]
Cites
Rividi, N., van Zuilen, M., Philippot, P., Ménez, B., Godard, G., & Poidatz, E. (2010) · Astrobiology · doi:10.1089/ast.2009.0388 · Cited by 107 · see citing works
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Urashima, S.-H., Nishioka, T., & Yui, H. (2022) · Analytical Sciences · doi:10.1007/s44211-022-00119-1 · Cited by 17 · see citing works
- Authors
- Kim, Y., Caumon, M.-C., Barres, O., Sall, A., & Cauzid, J.
- Affiliations
- GeoRessources (FR)
- Corresponding author
- Kim, Yonghwi
- Venue
- Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
- Publisher
- Elsevier BV
- Published
- 2021-11
- Volume
- 261
- Pages
- 119980
- ISSN
- 1386-1425 (ISSN-L)
- OpenAlex
- W3164848763
- Cited by
- 134
- References
- 1
- Citations by year
- 2026: 36 · 2025: 38 · 2024: 22 · 2023: 27 · 2022: 9 · 2021: 2
- FWCI
- 9.01
- Type
- journal article
- Language
- en
- Open access
- hybrid
- doi.org
- Licence
- Locations
- Spectrochimica Acta Part A Molecular and Biomolecular Spectroscopy (publishedVersion, cc-by)
- PubMed (publishedVersion)
- HAL (submittedVersion, cc-by)
- Funders
- Horizon 2020 Framework Programme
- Horizon 2020 (776804)
- Topics
- Physical Sciences › Earth and Planetary Sciences › Geochemistry and Petrology › Mineralogy and Gemology Studies
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Biophysics › Spectroscopy Techniques in Biomedical and Chemical Research
- Social Sciences › Arts and Humanities › Archeology › Cultural Heritage Materials Analysis
- Keywords
- carbonate minerals, calcite structure, mineral identification, mineral composition, ankerite, dolomite, siderite, rhodochrosite, magnesite, portable Raman spectrometer, ATR spectroscopy
- MeSH terms
- Calcium Carbonate, Carbonates, Minerals, Spectrophotometry, Infrared, Spectrum Analysis, Raman
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