Band
Title
1445.0 cm-1: ν3 (Eg) of (CO3)2- in Magnesite
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 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)
1445 ± 1 - 7 ± 3 symmetric 0.015 vw 0.0068 vw 295.0 1
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
Contribution level
full
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν3 (stretching asym.)       Bond: ……C…O-2/3
Comments
C-O antisymmetric stretch
Composition
Mg>0.95, Fe+Mn < 5%, Ca < 1%
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
spectrum fit
Fit function
Gaussian
Overlap
isolated
Peak
1445 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
Comments
independent of Mg content
FWHM
7 ± 3 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Comments
decreases with Mg fraction
Method
baseline corrected peak intensity
Relative intensity
0.015 ± 0.007
Strength
very weak (vw)
Evaluation
validated
Quality
E
Comments
strongly increases with Mg fraction - extrapolated @ Mg=0.95
Method
width x peak intensity
Relative intensity
0.0068 ± 0.009
Strength
very weak (vw)
Evaluation
recommended
Quality
E
Publications
SSHADE spectrum