Band
Title
1380.0 cm-1: ν3 (A) of (CO3)2- in Barytocalcite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν3 (A) A stretching asym. (CO3)2- ……C…O-2/3 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)
1380 ± 2 - 10 ± 2 symmetric 0.004 vvw 295.0 1
Band assignment #1
Assignment
Label
ν3 (A)
Symmetry
A
Category
fundamental vibration

Evaluation

Level
partly assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
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
Method #1
various
Overlap
isolated
Peak
1380 ± 2 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
10 ± 2 cm-1 (estimated)
Shape
symmetric
Evaluation
undefined
Quality
D
Method
estimated
Relative intensity
0.004 ± 0.002
Strength
very very weak (vvw)
Evaluation
undefined
Quality
E
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