Bandlist 18 18

Raman bandlist of Coalingite

Title
Raman bandlist of Coalingite
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Data
Individual bands
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Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 250.0 - 3800.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2024): Raman bandlist of Coalingite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_COALINGITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Coalingite at 295K
Number of bands
18
Comments
This band list is provisional. Relatively good coherence between the main bands of RRUFF and IPAG, but not with Frost and Bahfenne (2009) with large shifts in peak positions and strong differences in intensity. Also uncertain or partial assignements. Need new measurements on analyzed samples.
Constituent and primary specie
Constituent
Coalingite
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
277 ± 1.5 277 ± 1.5 0.8 vs
νLT
translation
libration
(CO3)2-

328 ± 3 328 ± 3 0.08 m
νLT
translation
libration
(CO3)2-

442 ± 1.5 442 ± 1.5 1 vs
νLT
translation
libration
(CO3)2-

526 ± 2.5 526 ± 2.5 3 vs
νLT
translation
libration
(CO3)2-

597 ± 5 597 ± 5 0.5 s
νLT
translation
libration
(CO3)2-

697 ± 7 697 ± 7 0.35 s
ν2
bending out-p
(CO3)2-
(CO3)2-

1060 ± 5 1060 ± 5 0.45 s
ν1
stretching sym.
(CO3)2-
(CO3)2-

1090 ± 3 1090 ± 3 0.06 m
ν1
stretching sym.
(CO3)2-
(CO3)2-

1431 ± 12 1431 ± 12 0.015 vw
ν3
stretching asym.
(CO3)2-
(CO3)2-

1625 ± 30 1625 ± 30 0.07 m
ν2
bending
H2O
H2O

1768 ± 2 1768 ± 2 0.03 w
ν2
bending
H2O
H2O

2271 ± 10 2271 ± 10 0.15 m
unknown
unknown
(CO3)2-
(CO3)2-

3030 ± 10 3030 ± 10 0.008 vw
ν1
stretching asym.
H2O
H2O

3235 ± 10 3235 ± 10 0.01 vw
ν3
stretching sym.
H2O
H2O

3580 ± 7 3580 ± 7 0.04 w
ν
stretching
Mg2+ · ⁻O-H
Mg2+ · ⁻O-H

3620 ± 25 3620 ± 25 1.05 vs
ν
stretching
Mg2+ · ⁻O-H
Mg2+ · ⁻O-H

3648 ± 4.5 3648 ± 4.5 0.8 vs
ν
stretching
Fe3+ · ⁻O-H
Fe3+ · ⁻O-H

3663 ± 32 3663 ± 32 0.04 w
ν
stretching
Fe3+ · ⁻O-H
Fe3+ · ⁻O-H

Spectral range type(s)
MIR, FIR
Spectral range(s)
250 - 3800 cm-1
Reference position Raman
442 cm-1

Versions

Release date
2024-12-26 21:32:35 UTC+0000
Version (Date)
#1 (2024-12-26 21:32:35 UTC+0000, Updated: 2024-12-26 21:32:35 UTC+0000)
History
Date Mode Version Status Comments
2024-12-26 21:21:55 UTC+0000 first import #1 valid version
Analysis
compilation of data from Frost and Bahfenne (2009), + data analysis of two Coalingite spectra from RRUFF and two from IPAG
Quality flag
2
Validation date
2024-08-10
Validators