Band
Title
1436.0 cm-1: ν3 (Eg) of (CO3)2- in Calcite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3 (Eg) Eg stretching asym. (CO3)2- ……C…O-2/3 mode degeneracy double
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)
1436 ± 1.5 - 4.1 ± 0.5 symmetric 0.015 vw 0.03 w 295.0 1
1435 ± 2 - 2.2 ± 0.3 symmetric 0.016 vw 0.025 w 80.0
Band assignment #1
Assignment
Label
ν3 (Eg)
Symmetry
Eg
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: ……C…O-2/3
Comments
C-O antisymmetric stretch
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
isolated
Peak
1436 ± 1.5 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
4.1 ± 0.5 cm-1 (various)
Shape
symmetric
Evaluation
validated
Quality
B
Method
various
Relative intensity
0.015 ± 0.005
Strength
very weak (vw)
Evaluation
undefined
Quality
E
Method
various
Relative intensity
0.03 ± 0.005
Strength
weak (w)
Evaluation
validated
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
unknown
Overlap
isolated
Peak
1435 ± 2 cm-1 (unknown)
Evaluation
validated
Quality
B
FWHM
2.2 ± 0.3 cm-1 (unknown)
Shape
symmetric
Evaluation
validated
Quality
B
Method
other
Relative intensity
0.016 ± 0.005
Strength
very weak (vw)
Evaluation
validated
Quality
E
Comments
from integrated intensity
Method
fit integrated intensity
Relative intensity
0.025 ± 0.009
Strength
weak (w)
Evaluation
validated
Quality
E
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