Bandlist 8 8

Raman bandlist of Ferroan Magnesite

Title
Raman bandlist of Ferroan Magnesite
Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Raman bandlist of Ferroan Magnesite. Version 2. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_FE-MAGNESITE
Publication(s)
Type
Raman scattering
Description
FIR-MIR Raman bandlist of natural Ferroan Magnesite (0.05 < Fe < 0.5) at 295K
Number of bands
8
Comments
From a detailed analysis of the Raman bands along the whole siderite-magnesite solid solution (Schmitt et al. 2026) - The wide range of positions is due to the wide range of composition in Fe+Mn (5 - 50 at% of cations), plus some minor substitution by Ca and Zn (<1%).
Constituent
Ferroan Magnesite
Comments
Atoms: Mg, Fe (Mn, Ca, Zn), C, O
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
204.5 ± 6.5 204.5 ± 6.5 8 ± 4 0.13 m
νT (Eg)
translation
(CO3)2-
double
316.5 ± 11.5 316.5 ± 11.5 9.5 ± 5 0.45 s
νL (Eg)
libration
(CO3)2-
double
508 ± 3 508 ± 3 63 ± 6 0.0075 vw
Fe2+-O⁻ excitation
ligand-to-metal charge-transfer
Fe2+
O⁻

735.5 ± 2.25 735.5 ± 2.25 17.5 ± 2.5 0.035 w
ν4a (Eg)
deformation in-p
(CO3)2-
(CO3)2-
double
874.25 ± 2.75 874.25 ± 2.75 11 ± 2 0.004 vvw
ν2a (A2g)
deformation out-p
(CO3)2-
(CO3)2-

1092 ± 1.75 1092 ± 1.75 11.75 ± 1.75 1 vs
ν1 (A1g)
stretching sym.
CO-2/3
(CO3)2-

1449 ± 5 1449 ± 5 34 ± 22 0.0055 vw
ν3 (Eg)
stretching asym.
CO-2/3
(CO3)2-
double
1751.75 ± 10 1751.75 ± 10 18.5 ± 7 0.031 w
2 (A1g)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

Spectral range type(s)
FIR, MIR
Spectral range(s)
150 - 1800 cm-1
Reference position Raman
1092 cm-1

Versions

Release date
2026-08-13 09:41:03+0000 UTC
Version (Date)
#2 (2026-08-13 09:41:03+0000 UTC, Updated: 2026-08-13 15:29:45+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
2023-08-29 14:59:25+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