Bandlist 26 26

Raman bandlist of Brugnatellite

Title
Raman bandlist of Brugnatellite
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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): 100.0 - 3800.0 cm-1
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Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2024): Raman bandlist of Brugnatellite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_BRUGNATELLITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Brugnatellite at 295K
Number of bands
26
Comments
This band list is provisional: Not very reliable. Only a single publication found with two quite different spectra and also different from a partial spectrum from IPAG (sample composition not analyzed). No RRUFF spectra available. Need new measurements on analyzed samples.
Constituent and primary specie
Constituent
Brugnatellite
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
130 ± 3 130 ± 3 0.18 m
νLT
translation
libration
(CO3)2-

279.5 ± 1 279.5 ± 1 0.42 s
νLT
translation
libration
(CO3)2-

330 ± 4 330 ± 4 0.085 m
νLT
translation
libration
(CO3)2-

444.5 ± 1 444.5 ± 1 0.75 vs
νLT
translation
libration
(CO3)2-

521 ± 1 521 ± 1 0.84 vs
νLT
translation
libration
(CO3)2-

552 ± 5 552 ± 5 0.17 m
νLT
translation
libration
(CO3)2-

621 ± 1 621 ± 1 0.3 s
ν4
bending in-p
(CO3)2-
(CO3)2-

690 ± 1 690 ± 1 s
ν4
bending in-p
(CO3)2-
(CO3)2-

700 ± 3 700 ± 3 m
ν4
bending in-p
(CO3)2-
(CO3)2-

779 ± 14 779 ± 14 w
ν2
bending out-p
(CO3)2-
(CO3)2-

938 ± 1 938 ± 1 w
δ
deformation
Mg2+ · ⁻O-H
Mg2+ · ⁻O-H

988 ± 29 988 ± 29 0.05 w
δ
deformation
Fe3+ · ⁻O-H
Fe3+ · ⁻O-H

1071 ± 16 1071 ± 16 0.1 m
ν1
stretching sym.
(CO3)2-
(CO3)2-

1098 ± 4 1098 ± 4 s
ν1
stretching sym.
(CO3)2-
(CO3)2-

1350 ± 27 1350 ± 27 vw
ν3
stretching asym.
(CO3)2-
(CO3)2-

1451 ± 1 1451 ± 1 vw
ν3
stretching asym.
(CO3)2-
(CO3)2-

1591 ± 1 1591 ± 1 vw
ν2
bending
H2O
H2O

1657 ± 1 1657 ± 1 vw
ν2
bending
H2O
H2O

3030 ± 5 3030 ± 5 w
ν1
stretching asym.
H2O
H2O

3230 ± 5 3230 ± 5 0.025 w
ν3
stretching sym.
H2O
H2O

3575 ± 1 3575 ± 1 w
ν
stretching
Mg2+ · ⁻O-H
Mg2+ · ⁻O-H

3594 ± 1 3594 ± 1 0.21 s
ν
stretching
Mg2+ · ⁻O-H
Mg2+ · ⁻O-H

3642 ± 1 3642 ± 1 1 vs
ν
stretching
Mg2+ · ⁻O-H
Fe3+ · ⁻O-H

3654 ± 3 3654 ± 3 0.7 vs
ν
stretching
Mg2+ · ⁻O-H
Fe3+ · ⁻O-H

3685 ± 1 3685 ± 1 0.065 m
ν
stretching
Mg2+ · ⁻O-H
Fe3+ · ⁻O-H

3696.5 ± 1 3696.5 ± 1 0.1 m
ν
stretching
Mg2+ · ⁻O-H
Fe3+ · ⁻O-H

Spectral range type(s)
MIR, FIR
Spectral range(s)
100 - 3800 cm-1
Reference position Raman
3642 cm-1

Versions

Release date
2024-12-26 20:23:13 UTC+0000
Version (Date)
#1 (2024-12-26 20:23:13 UTC+0000, Updated: 2024-12-26 20:23:13 UTC+0000)
History
Date Mode Version Status Comments
2024-12-26 19:44:20 UTC+0000 first import #1 valid version
Analysis
compilation of data from Frost and Bahfenne (2009) completed with a partial spectrum from IPAG
Quality flag
2
Validation date
2024-08-10
Validators