Band
Title
690.0 cm-1: ν4(A) of (CO3)2- and ν4(EB of (CO3)2- in Barytocalcite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν4(A) A bending sym. in-p (scissoring) (CO3)2- (CO3)2- mode degeneracy double
ν4(EB B bending sym. in-p (scissoring) (CO3)2- (CO3)2- 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)
690 ± 2 - 6.7 symmetric 0.035 w 295.0 1
Label
ν4(A)
Symmetry
A
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

Vibration modes

Label (type)
ν4 (bending sym. in-p (scissoring))       Bond: (CO3)2-
Comments
O-C-O in-plane deformation
Label
ν4(EB
Symmetry
B
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

Vibration modes

Label (type)
ν4 (bending sym. in-p (scissoring))       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
Method #1
spectrum measurement
Overlap
moderately blended
Peak
690 ± 2 cm-1 (estimated)
Evaluation
undefined
Quality
B
FWHM
6.7 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
undefined
Quality
undefined
Method
baseline corrected peak intensity
Relative intensity
0.035 ± 0.015
Strength
weak (w)
Evaluation
undefined
Quality
E