Bandlist 10 10

Raman bandlist of Siderite

Title
Raman bandlist of Siderite
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Data
Individual bands
Sum all bands
Sum bands by isotopes
Sum bands for an individual isotope:
Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 150.0 - 1800.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2021): Raman bandlist of Siderite. Version 2. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_SIDERITE
Publication(s)
Type
Raman scattering
Description
FIR-MIR Raman bandlist of natural Siderite (Fe+Mn > 95%) at room temperature
Number of bands
10
Comments
From a detailed analysis of the Raman bands along the whole siderite-magnesite solid solution (Schmitt et al. 2026)
Parent experiments
Parent spectra
Constituent and primary specie
Constituent
Siderite
Comments
Atoms: Fe (Mg, Mn, Ca, Zn), C, O
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
183 ± 0.75 183 ± 0.75 16 ± 0.5 0.095 m
νT (Eg)
translation
(CO3)2-
double
282.75 ± 0.75 282.75 ± 0.75 14.25 ± 0.75 0.24 s
νL (Eg)
libration
(CO3)2-
double
510 ± 2 510 ± 2 69.5 ± 1.5 0.009 vw
Fe2+-O⁻ excitation
ligand-to-metal charge-transfer
Fe2+
O⁻

728.25 ± 0.5 728.25 ± 0.5 16.75 ± 1 0.017 vw
ν4a (Eg)
deformation in-p
(CO3)2-
(CO3)2-
double
742.5 ± 0.25 742.5 ± 0.25 19.5 ± 0.75 0.017 vw
ν4b (Eu)
deformation in-p
(CO3)2-
(CO3)2-
double
847.5 ± 0.5 847.5 ± 0.5 9.5 ± 0.5 5.0e-04 ew
ν2b (A2u)
deformation out-p
(CO3)2-
(CO3)2-

863.5 ± 0.5 863.5 ± 0.5 4 ± 1 2.5e-04 ew
ν2a (A2g)
deformation out-p
(CO3)2-
(CO3)2-

1085 ± 0.25 1085 ± 0.25 8.5 ± 0.25 1 vs
ν1 (A1g)
stretching sym.
……C…O-2/3
(CO3)2-

1429 ± 1 1429 ± 1 65 ± 2 0.0033 vvw
ν3 (Eg)
stretching asym.
……C…O-2/3
(CO3)2-
double
1725.5 ± 0.5 1725.5 ± 0.5 17 ± 1 0.024 w
2ν2 (A1g)
deformation out-p
(CO3)2-
(CO3)2-

Spectral range type(s)
MIR, FIR
Spectral range(s)
150 - 1800 cm-1
Reference position electronic
510 cm-1
Reference position Raman
1085 cm-1

Versions

Release date
2026-08-09 11:56:17+0000 UTC
Version (Date)
#2 (2026-08-09 11:56:17+0000 UTC, Updated: 2026-08-13 15:32:44+0000 UTC)
History
Completely new high accuracy measurements and analysis of position, width and intensity of Raman spectra of a set of samples characterized with EPMA (Schmitt et al. 2026, IPAG)
Older version(s)
History
Date Mode Version Status Comments
2021-10-01 06:29:10+0000 UTC first import #1 obsolete version Strongly improved parameters and 3 new bands added
Analysis
Specific analysis of position, width and intensity of Raman spectra measured with high accuracy on a set of samples and characterized with EPMA at the location of Raman spot (Schmitt et al. 2026, IPAG) + compilation of all the published spectral data (papers and databases)
Quality flag
5
Validation date
2026-07-21
Validators