Bandlist 37 37

Raman bandlist of Vaterite

Title
Raman bandlist of Vaterite
Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Raman bandlist of Vaterite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_VATERITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural and synthetic Vaterite at 295K
Number of bands
37
Comments
data from bio or synthetic vaterite with significant amount of Mg (> 500 ppm) have not been taken into account
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
105.5 ± 0.5 15 ± 1 0.37 s 6
νL (Ag)
νL (Bg)
libration
libration
(CO3)2-
(CO3)2-
double
double

118 ± 2 14 ± 4 0.315 s 6
νLT (Ag)
νT (Bg)
translation
libration
translation
(CO3)2-
Ca2+
(CO3)2-
Ca2+
double
double

150 ± 2 19 ± 2.5 0.011 vw 3
νT (Ag)
translation
(CO3)2-
Ca2+

175.5 ± 2.5 22 ± 4.5 0.011 vw 3
νLT (Bg)
νLT (Ag)
translation
libration
translation
libration
(CO3)2-
Ca2+
(CO3)2-
Ca2+
double
double

208.5 ± 1.5 33 ± 7 0.06 w 4
νLT (Bg)
translation
libration
(CO3)2-
Ca2+
double
266 ± 3 33.5 ± 3.5 0.105 m 5
νLT (Bg)
νLT (Ag)
translation
libration
translation
libration
(CO3)2-
Ca2+
(CO3)2-
Ca2+
double
double

301.5 ± 1.5 20 ± 2 0.12 m 5
νL (Bg)
νLT (Bg)
libration
translation
libration
(CO3)2-
(CO3)2-
Ca2+
double
double

329 ± 4 20 ± 4 0.011 vw 3
νLT (Ag)
translation
libration
(CO3)2-
Ca2+

667 ± 1 6.5 ± 1.5 0.005 vw 3
ν4 (Ag)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
672 ± 2 7 ± 2.7 0.0055 vvw 2
ν4 (Bg)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
684 ± 2 5 ± 1.5 0.01 vw 3
ν4 (Ag)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
739 ± 1 7 ± 1 0.021 vw 3
ν4 (Bg)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
743 ± 0.5 7.7 ± 0.7 0.015 vw 3
ν4 (Ag)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
751.5 ± 1.5 7.5 ± 1 0.038 w 4
ν4 (Bg)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
no
844 ± 0.5 1.5 ± 0.5 1.0e-05 ew 1
ν2 (Ag)
bending sym. out-p (wagging)
(13C16O3)2-
(13C16O3)2-

849.5 ± 0.5 2.5 ± 0.5 3.0e-05 ew 1
ν2 (Bg)
bending sym. out-p (wagging)
(13C16O3)2-
(13C16O3)2-

851 ± 1 2.5 ± 1 1.0e-05 ew 1
ν2 (Bg)
bending sym. out-p (wagging)
(13C16O3)2-
(13C16O3)2-

855 ± 0.5 4 ± 0.5 7.0e-05 ew 1
ν2 (Bg)
bending sym. out-p (wagging)
(13C16O3)2-
(13C16O3)2-

860 ± 1 4 ± 1.5 1.0e-05 ew 1
ν2 (Bg)
bending sym. out-p (wagging)
(13C16O3)2-
(13C16O3)2-

874 ± 1.5 7 ± 4 0.0055 vvw 2
ν2 (Ag)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

877 ± 0.5 3 ± 0.5 0.0045 vvw 2
ν2 (Bg)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

881.5 ± 0.5 10 ± 2 0.003 vvw 2
ν2 (Bg)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

984 ± 1 13 ± 1 0.003 vvw 2
ν1L
stretching sym.
libration
12C18O-2/3
(CO3)2-

1003 ± 1.5 15 ± 3 0.004 vvw 2
ν1L
stretching sym.
libration
12C18O-2/3
(CO3)2-

1032 ± 4 13 ± 5 0.0045 vvw 2
ν1L
stretching sym.
libration
12C18O-2/3
(CO3)2-

1074.5 ± 0.5 5.2 ± 0.5 0.4 s 6
ν1 (Ag)
stretching sym.
CO-2/3
(CO3)2-

1080 ± 1.5 5 ± 1 0.18 m 5
ν1 (Ag)
stretching sym.
CO-2/3
(CO3)2-

1090 ± 1 5.5 ± 1 1 vs 7
ν1 (Bg)
stretching sym.
CO-2/3
(CO3)2-

1421 ± 0.5 15 ± 3 0.0072 vw 3
ν3 (Ag)
stretching asym.
CO-2/3
(CO3)2-
double
1441 ± 3 17.5 ± 1 0.0068 vw 3
ν3 (Bg)
stretching asym.
CO-2/3
(CO3)2-
double
1461 ± 5 20.5 ± 6 0.0025 vvw 2
ν3 (Ag)
stretching asym.
CO-2/3
(CO3)2-
double
1480 ± 1 27 ± 4 0.01 vw 3
ν3 (Ag)
stretching asym.
CO-2/3
(CO3)2-
double
1555 ± 2 6 ± 2 0.001 ew 1
ν3 (Bg)
stretching asym.
CO-2/3
(CO3)2-
double
1746 ± 1 7.5 ± 0.5 0.023 w 4
2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

1750.5 ± 1 10 ± 2.5 0.007 vw 3
2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

1754.5 ± 1 10 ± 2.5 0.007 vw 3
2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

1757 ± 1 11.5 ± 1 0.023 w 4
2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

Spectral range type(s)
MIR, FIR
Spectral range(s)
100 - 1800 cm-1
Reference position Raman
1090 cm-1

Versions

Release date
2023-12-24 21:10:48 UTC+0000
Version (Date)
#1 (2023-12-24 21:10:48 UTC+0000, Updated: 2023-12-27 09:26:25 UTC+0000)
History
Date Mode Version Status Comments
2023-12-24 20:18:32 UTC+0000 first import #1 valid version
Analysis
compilation of data from White (1974), Behrens et al. (1995), Gauldie et al. (1997), Carteret et al. (2009), Kontoyannis and Vagenas (2000, Gabrielli et al. (2000), Hollett (2000), Wehrmeister et al. (2010) + data analysis of a Vaterite spectrum from IPAG for 295K.
Quality flag
4
Validation date
2023-12-24
Validators