Bandlist 19 19

Raman bandlist of Alstonite

Title
Raman bandlist of Alstonite
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Data
Individual bands
Sum all bands
Sum bands by isotopes
Sum bands for an individual isotope:
Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 70.0 - 1600.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Raman bandlist of Alstonite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_ALSTONITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Alstonite at 295K
Number of bands
19
Comments
Little available data.
Constituent and primary specie
Constituent
Alstonite
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
79 ± 1 79 ± 1 7.5 ± 1 0.72 vs
νT (A)
νLT (A)
νL (B)
translation
translation
libration
libration
(CO3)2-
Ca2+
Ba2+
(CO3)2-
Ca2+
(CO3)2-
triple
triple
triple


102.5 ± 1 102.5 ± 1 6.8 ± 0.3 0.16 m
νLT (B)
translation
libration
(CO3)2-
Ca2+

128.5 ± 1.5 128.5 ± 1.5 14 ± 3 0.35 s
νT (A)
νLT (A)
translation
translation
libration
(CO3)2-
Ca2+
Ba2+
(CO3)2-
Ca2+
double
double

144 ± 1 144 ± 1 14 ± 3 0.55 s
νLT (A)
νLT (B)
translation
libration
translation
libration
(CO3)2-
Ca2+
Ba2+
(CO3)2-
Ca2+
double
double

150 ± 1 150 ± 1 14 ± 3 0.45 s
νL (A)
νLT (B)
libration
translation
libration
(CO3)2-
(CO3)2-
Ca2+
double
double

171.5 ± 1.5 171.5 ± 1.5 9 ± 1 0.11 m
νT (A)
νL (B)
translation
libration
(CO3)2-
Ca2+
(CO3)2-
double
double

196 ± 0.5 196 ± 0.5 8 ± 1 0.04 w
νLT (A)
νLT (B)
translation
libration
translation
libration
(CO3)2-
Ca2+
Ba2+
(CO3)2-
Ca2+
double
double

211.5 ± 0.5 211.5 ± 0.5 7 ± 1 0.015 vw
νL (A)
libration
(CO3)2-

249 ± 3 249 ± 3 8 ± 1 0.04 w
νLT (A)
translation
libration
(CO3)2-
Ca2+

282 ± 2 282 ± 2 8 ± 1 0.02 w
νLT (B)
νLT (A)
νLT (B)
translation
libration
translation
libration
translation
libration
(CO3)2-
Ca2+
(CO3)2-
Ca2+
(CO3)2-
Ca2+
triple
triple
triple


314 ± 0.5 314 ± 0.5 8 ± 1 0.01 vw
νLT (A)
translation
libration
(CO3)2-
Ca2+

691.5 ± 1.5 691.5 ± 1.5 9 ± 1 0.075 m
ν4(B)
ν4(A)
bending sym. in-p (scissoring)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
(CO3)2-
(CO3)2-
double
double

702 ± 1 702 ± 1 7 ± 1 0.045 w
ν4(A)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-

710.5 ± 0.5 710.5 ± 0.5 6 ± 2 0.018 vw
ν4(A)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-

901 ± 0.5 901 ± 0.5 4 ± 0.5 0.0085 vw
ν2(a)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-
double
1055 ± 1.5 1055 ± 1.5 3 ± 1 0.012 vw
ν1 (A)
stretching sym.
……12C…18O-2/3
(C18OO2)2-

1065.5 ± 1.5 1065.5 ± 1.5 4.5 ± 0.5 1 vs
ν1 (A)
stretching sym.
……C…O-2/3
(CO3)2-

1090.5 ± 1.5 1090.5 ± 1.5 6.5 ± 1 0.4 s
ν1 (A1)
stretching sym.
……C…O-2/3
(CO3)2-

1489 ± 1 1489 ± 1 7.5 ± 2 0.04 w
ν3 (A)
stretching asym.
……C…O-2/3
(CO3)2-
quadruple
Spectral range type(s)
MIR, FIR
Spectral range(s)
70 - 1600 cm-1
Reference position Raman
1065.5 cm-1

Versions

Release date
2023-12-27 09:09:00 UTC+0000
Version (Date)
#1 (2023-12-27 09:09:00 UTC+0000, Updated: 2023-12-27 09:09:00 UTC+0000)
History
Date Mode Version Status Comments
2023-12-27 09:07:16 UTC+0000 first import #1 valid version
Analysis
compilation of data from Scheetz and White (1977), Vitek et al. (2013) + data analysis of 3 RRUFF spectra
Quality flag
3
Validation date
2023-12-27
Validators