Band
Title
1734.0 cm-1: 2ν2 (A1g) of (CO3)2- in Magnesian Siderite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
2ν2 (A1g) A1g deformation out-p (CO3)2- (CO3)2- no full
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)
1734 ± 8 - 21.75 ± 3.75 asymmetric 0.021 w 0.053 w 295.0 1
Label
2ν2 (A1g)
Symmetry
A1g
Category
overtone vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Contribution level
full

Vibration modes

Label (type)
2ν2 (deformation out-p)       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation overtone
Composition
0.05
Texture
crystal in plot

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
532.0 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
isolated
Peak
1734 ± 8 cm-1 (fit peak)
Evaluation
validated
Quality
D
Comments
increases with Mg fraction
FWHM
21.75 ± 3.75 cm-1 (fit fwhm)
Shape
asymmetric
Evaluation
validated
Quality
D
Comments
weak low frequency shoulder - increases with Mg fraction
Method
baseline corrected peak intensity
Relative intensity
0.021 ± 0.005
Strength
weak (w)
Evaluation
validated
Quality
D
Comments
decreases with Mg fraction
Method
width x peak intensity
Relative intensity
0.053 ± 0.004
Strength
weak (w)
Evaluation
recommended
Quality
C