Band
Title
738.5 cm-1: ν4a (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
ν4a (Eg) Eg deformation in-p (CO3)2- (CO3)2- 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)
738.5 ± 1 - 15 ± 0.5 symmetric 0.06 m 0.073 m 295.0 1
Band assignment #1
Assignment
Label
ν4a (Eg)
Symmetry
Eg
Category
fundamental vibration

Evaluation

Level
partly assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy double (CO3)2-
Contribution level
full
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν4a (deformation in-p)       Bond: (CO3)2-
Comments
O-C-O in-plane deformation
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
738.5 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
Comments
increases with Mg fraction
FWHM
15 ± 0.5 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
B
Comments
decreases with Mg fraction
Method
baseline corrected peak intensity
Relative intensity
0.06 ± 0.015
Strength
medium (m)
Evaluation
validated
Quality
E
Comments
strongly increases with Mg fraction
Method
width x peak intensity
Relative intensity
0.073 ± 0.022
Strength
medium (m)
Evaluation
recommended
Quality
E
Comments
independent of Mg fraction
Publications
SSHADE spectra