Band
Title
1444.0 cm-1: ν3 (Eg) of (CO3)2- in Magnesian Siderite
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 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)
1444 ± 14 - 60 ± 6 asymmetric high frequency wing 0.004 vvw 0.027 w 295.0 1
Label
ν3 (Eg)
Symmetry
Eg
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Contribution level
full

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: ……C…O-2/3
Comments
C-O antisymmetric stretch
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
1444 ± 14 cm-1 (fit peak)
Evaluation
recommended
Quality
D
Comments
increases up to around Mg=0.4, but dispersed
FWHM
60 ± 6 cm-1 (fit fwhm)
Shape
asymmetric high frequency wing
Evaluation
validated
Quality
E
Comments
decreases with Mg fraction
Method
baseline corrected peak intensity
Relative intensity
0.004 ± 0.002
Strength
very very weak (vvw)
Evaluation
validated
Quality
E
Comments
slightly increases with Mg content
Method
width x peak intensity
Relative intensity
0.027 ± 0.011
Strength
weak (w)
Evaluation
recommended
Quality
E