Bandlist 7 7

Raman bandlist of natural Calcite

Title
Raman bandlist of natural Calcite
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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 Calcite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_CALCITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Calcite at 295K and 80K
Number of bands
7
Comments
only partial compilation of litterature
Other bandlists of this constituent
Parent spectra
Constituent and primary specie
Constituent
Calcite
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
156 ± 2 156 ± 2 6.5 ± 0.5 0.07 m
νT (Eg)
translation
(CO3)2-
double
282 ± 1.5 282 ± 1.5 9.5 ± 1 0.17 m
νL (Eg)
libration
(CO3)2-
double
712 ± 1.5 712 ± 1.5 3 ± 0.5 0.065 m
ν4 (Eg)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
double
1067 ± 1 1067 ± 1 2 ± 0.3 0.006 vw
ν1 (A1g)
stretching sym.
……12C…18O-2/3
(C18OO2)2-

1086.5 ± 1.5 1086.5 ± 1.5 2 ± 0.5 1 vs
ν1 (A1g)
stretching sym.
……C…O-2/3
(CO3)2-

1436 ± 1.5 1436 ± 1.5 4.1 ± 0.5 0.015 vw
ν3 (Eg)
stretching asym.
……C…O-2/3
(CO3)2-
double
1749.5 ± 1.5 1749.5 ± 1.5 6.8 ± 0.5 0.01 vw
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 Raman
1087 cm-1

Versions

Release date
2021-10-01 12:57:49 UTC+0000
Version (Date)
#1 (2021-10-01 12:57:49 UTC+0000, Updated: 2023-08-22 12:21:06 UTC+0000)
History
Date Mode Version Status Comments
2021-10-01 06:26:33 UTC+0000 first import #1 valid version
Analysis
compilation from Liu et al. (1990), Gillet et al. (1993), De La Pierre et al. (2014), Liu et al. (2016), Farsang et al. (2018) + data analysis of calcite spectrua: one in SSHADE (REAP) and one from IPAG for 295K. Data from De La Pierre et al. (2014) for 80K.
Quality flag
4
Validation date
2023-08-22
Validators