Bandlist 21 21

Raman bandlist of Huntite

Title
Raman bandlist of Huntite
Draw options
Draw line: Fill area:
Line width:
Fill opacity:
Colors:
Range:
Saturation:
Lightness:
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 - 1800.0 cm-1
X Axis
Scale:   Inverted:
Y Axis
Scale:
Legend
Position:   Visibility:
Band list reference
Schmitt, Bernard and The SSHADE Band List Committee (2023): Raman bandlist of Huntite. Version 1. SSHADE (OSUG Data Center). Dataset/Band list Data. https://doi.org/10.26302/SSHADE/BANDLIST_RAMAN_HUNTITE
Publication(s)
Type
Raman scattering
Description
MIR-FIR Raman bandlist of natural Huntite at 295K
Number of bands
21
Comments
Little available data. Data from 'virtual Huntite' from RRUFF is of unknown origin (data analysis or calculation ?). Data from Vitek et al. (2013) not taken into account as systematically shifted by 4-6 cm-1
Constituent and primary specie
Constituent
Huntite
Bands
Position (cm-1) Width (cm-1) Peak intensity (cm-1) Relative intensity Strength Transition mode Mode type(s) Bond Specie(s) Degeneracy Resonances
116.5 ± 1.5 116.5 ± 1.5 9.3 0.039 w
νLT (E)
νLT (E)
translation
libration
translation
libration
(CO3)2-
Ca2+
Mg2+
(CO3)2-
Ca2+



153 ± 2 153 ± 2 4.6 0.075 m
νT (E)
translation
(CO3)2-
Mg2+
double
168.5 ± 1 168.5 ± 1 5.6 0.0062 vw
νLT (E)
νT (A1)
translation
libration
translation
(CO3)2-
Ca2+
(CO3)2-
Mg2+
double

230 ± 1 230 ± 1 8 0.046 w
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+
double
245 ± 1 245 ± 1 13 0.1 m
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+
double
253.5 ± 1 253.5 ± 1 13.6 0.19 m
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+
double
272 ± 1 272 ± 1 5.2 0.22 s
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+

279 ± 1 279 ± 1 10 0.067 m
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+

289 ± 1 289 ± 1 7.4 0.012 vw
νLT (A1)
translation
libration
(CO3)2-
Mg2+

315.5 ± 1 315.5 ± 1 11.2 0.12 m
νLT (E)
translation
libration
(CO3)2-
Ca2+
Mg2+
double
365 ± 1 365 ± 1 18.6 0.012 vw
νLT (E)
translation
libration
(CO3)2-
Mg2+
quadruple
387 ± 2 387 ± 2 29.2 0.018 vw
νLT (E)
translation
libration
(CO3)2-
Mg2+
double
704 ± 1 704 ± 1 17.4 0.013 vw
ν4(E)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
double
724 ± 1 724 ± 1 5.8 0.039 w
ν4(E)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
double
743 ± 1 743 ± 1 14.2 0.0072 vw
ν4(E)
bending sym. in-p (scissoring)
(CO3)2-
(CO3)2-
double
878 ± 1.5 878 ± 1.5 2.8 0.063 m
ν2(E)
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-
double
1107.5 ± 1 1107.5 ± 1 6.4 0.031 w
ν1 (A1)
stretching sym.
……12C…18O-2/3
(C18OO2)2-

1122.5 ± 0.5 1122.5 ± 0.5 4.8 1 vs
ν1 (A1)
stretching sym.
……C…O-2/3
(CO3)2-

1459 ± 1 1459 ± 1 6 0.018 vw
ν3 (E)
stretching asym.
……C…O-2/3
(CO3)2-
quadruple
1761 ± 1 1761 ± 1 6 0.01 vw
2ν2
bending sym. out-p (wagging)
(CO3)2-
(CO3)2-

2905 ± 1 2905 ± 1 vw
2ν3
stretching asym.
……C…O-2/3
(CO3)2-

Spectral range type(s)
MIR, FIR
Spectral range(s)
100 - 1800 cm-1
Reference position Raman
1122.5 cm-1

Versions

Release date
2023-12-25 18:25:48 UTC+0000
Version (Date)
#1 (2023-12-25 18:25:48 UTC+0000, Updated: 2023-12-27 09:22:56 UTC+0000)
History
Date Mode Version Status Comments
2023-12-25 18:12:56 UTC+0000 first import #1 valid version
Analysis
compilation of data from Scheetz and White (1977), Edward et al. (2005), Kristova et al. (2013) + RRUFF_P000080 (analysed/simulated ?) + data analysis of spectrum RRUFF_R040126
Quality flag
3
Validation date
2023-12-25
Validators