Bandlist 6 6

Raman bandlist of natural Siderite

Title
Raman bandlist of natural Siderite
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Data
Individual bands
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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 natural Siderite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_SIDERITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Siderite (Fe > 90%) at 295K
Number of bands
6
Comments
Only partial compilation of literature. Kept only data on samples with low Mg content: < 10%
Parent spectra
Constituent and primary specie
Constituent
Siderite
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 ± 2 183 ± 2 18.5 ± 2 0.09 m
νT (Eg)
translation
(CO3)2-
double
283 ± 3 283 ± 3 15 ± 1 0.14 m
νL (Eg)
libration
(CO3)2-
double
505 ± 2 505 ± 2 82 ± 3 0.015 vw
Fe2+-O⁻ excitation
ligand-to-metal charge-transfer
Fe2+
O⁻

728.5 ± 2.5 728.5 ± 2.5 24 ± 4 0.016 vw
ν4 (Eg)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
double
1084 ± 2 1084 ± 2 9 ± 0.3 1 vs
ν1 (A1g)
stretching sym.
……C…O-2/3
(CO3)2-

1726.5 ± 1.5 1726.5 ± 1.5 17.9667 ± 1 0.023996 w
2ν2 (A1g)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

Spectral range type(s)
MIR, FIR
Spectral range(s)
150 - 1800 cm-1
Reference position electronic
505 cm-1
Reference position Raman
1084 cm-1

Versions

Release date
2021-10-01 12:57:59 UTC+0000
Version (Date)
#1 (2021-10-01 12:57:59 UTC+0000, Updated: 2023-08-21 19:54:33 UTC+0000)
History
Date Mode Version Status Comments
2021-10-01 06:29:10 UTC+0000 first import #1 valid version
Analysis
Using data compilation from Farsang et al. (2018) and Kim et al. (2021) (including 1 spectrum from RRUFF database) + analysis of spectrum in REAP/SSHADE database + 2 spectra measured at IPAG
Quality flag
4
Validation date
2023-08-21
Validators