Bandlist 12 12

Raman bandlist of synthetic beta-K2Ca(CO3)2 (Fairchildite)

Title
Raman bandlist of synthetic beta-K2Ca(CO3)2 (Fairchildite)
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Data
Individual bands
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Representation
Simple
Gaussian
Peaks
Data
Unit:  Range: Valid spectral range(s): 50.0 - 1800.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Raman bandlist of synthetic beta-K2Ca(CO3)2 (Fairchildite). Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_BETA_K2CACO3-2
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of synthetic β-K2Ca(CO3)2 (Fairchildite) at 295K
Number of bands
12
Comments
literature limited to a single paper on synthetic sample (no spectra found on natural Fairchildite)
Constituent and primary specie
Constituent
$K_2Ca(CO_3)_2$ - phase beta
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
100 ± 1 100 ± 1 40 ± 10 0.06 m
νLT
translation
libration
(CO3)2-
K⁺

167 ± 1 167 ± 1 120 ± 20 0.09 m
νLT
translation
libration
(CO3)2-

300 ± 1 300 ± 1 100 ± 20 0.01 vw
νLT
translation
libration
(CO3)2-

704 ± 3 704 ± 3 15 ± 3 0.031 w
ν4
bending asym. in-p (rocking)
(CO3)2-
(CO3)2-

719 ± 3 719 ± 3 15 ± 3 0.029 w
ν4
bending asym. in-p (rocking)
(CO3)2-
(CO3)2-

1063 ± 1 1063 ± 1 12 ± 5 0.6 s
ν1L
stretching sym.
……C…O-2/3
(CO3)2-

1077 ± 1 1077 ± 1 18 ± 5 1 vs
ν1H
stretching sym.
……C…O-2/3
(CO3)2-

1400 ± 15 1400 ± 15 50 ± 5 0.0054 vvw
ν3
stretching asym.
……C…O-2/3
(CO3)2-

1455 ± 10 1455 ± 10 75 ± 10 0.0075 vw
ν3
stretching asym.
……C…O-2/3
(CO3)2-

1525 ± 5 1525 ± 5 60 ± 5 0.007 vw
ν3
stretching asym.
……C…O-2/3
(CO3)2-

1739 ± 1 1739 ± 1 18 ± 3 0.0083 vw
2ν2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

1760 ± 2 1760 ± 2 18 ± 3 0.0063 vw
ν1+ν4
stretching sym.
bending sym. in-p (scissoring)
……12C…18O-2/3
(CO3)2-
(CO3)2-

Spectral range type(s)
FIR, MIR
Spectral range(s)
50 - 1800 cm-1
Reference position Raman
1077 cm-1

Versions

Release date
2023-09-10 17:21:27 UTC+0000
Version (Date)
#1 (2023-09-10 17:21:27 UTC+0000, Updated: 2023-09-11 06:36:53 UTC+0000)
History
Date Mode Version Status Comments
2023-09-10 15:46:40 UTC+0000 first import #1 valid version
Analysis
Data from Arefiev et al. (2019b) on synthetic β-K2Ca(CO3)2
Quality flag
3
Validation date
2023-09-09
Validators