Band
Title
701.0 cm-1: ν4 (B3g) of (CO3)2- in Aragonite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν4 (B3g) B3g bending asym. in-p (rocking) (CO3)2- (CO3)2- no
Characteristics summary
Peak position
(cm-1)		 Center position
(cm-1)		 Width
(cm-1)		 Shape Asymmetry factor Peak intensity
(cm-1)		 Peak intensity relative Peak strength Integrated intensity
(cm-2)		 Integrated intensity relative Integrated strength Temperature
(K)		 Pressure
(bar)
701 ± 1 - 2 ± 0.3 symmetric 0.05 w 0.065 m 295.0 1
701 ± 1.5 - 1.5 ± 0.3 symmetric 0.06 w 0.065 m 80.0
Band assignment #1
Assignment
Label
ν4 (B3g)
Symmetry
B3g
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν4 (bending asym. in-p (rocking))       Bond: (CO3)2-
Comments
O-C-O in-plane deformation
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
moderately blended
Peak
701 ± 1 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
2 ± 0.3 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
B
Method
peak intensity
Relative intensity
0.05 ± 0.015
Strength
weak (w)
Evaluation
undefined
Quality
E
Method
width x peak intensity
Relative intensity
0.065 ± 0.01
Strength
medium (m)
Evaluation
undefined
Quality
D
Texture
single crystals and powders

Temperature

Temperature
80.0 ± 5.0 K
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
spectrum fit
Fit function
Voigt
Overlap
isolated
Peak
701 ± 1.5 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
1.5 ± 0.3 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
B
Method
other
Relative intensity
0.06 ± 0.001
Strength
weak (w)
Evaluation
undefined
Quality
A
Method
fit integrated intensity
Relative intensity
0.065 ± 0.001
Strength
medium (m)
Evaluation
undefined
Quality
A
Publications
SSHADE spectrum