Band
Title
731.0 cm-1: ν4a (Eg) of (CO3)2- in Magnesian Siderite
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 extracted
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)
731 ± 2.25 - 18.5 ± 1 symmetric 0.021 w 0.05 w 295.0 1
Band assignment #1
Assignment
Label
ν4a (Eg)
Symmetry
Eg
Category
fundamental vibration

Evaluation

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

Vibration modes

Label (type)
ν4a (deformation in-p)       Bond: (CO3)2-
Comments
O-C-O in-plane bdeformation
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
strongly blended
Peak
731 ± 2.25 cm-1 (fit peak)
Evaluation
validated
Quality
B
Comments
increases with Mg fraction
FWHM
18.5 ± 1 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
C
Comments
increases with Mg fraction
Method
fit intensity
Relative intensity
0.021 ± 0.009
Strength
weak (w)
Evaluation
validated
Quality
E
Comments
increases with Mg fraction
Method
width x peak intensity
Relative intensity
0.05 ± 0.019
Strength
weak (w)
Evaluation
recommended
Quality
E
Comments
increases with Mg content
Publications
SSHADE spectra
External spectra