Band
Title
728.25 cm-1: ν4a (Eg) of (CO3)2- in Siderite
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)
728.25 ± 0.5 - 16.75 ± 1 symmetric 0.017 vw 0.033 w 295.0 1
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

Vibration modes

Label (type)
ν4a (deformation in-p)       Bond: (CO3)2-
Comments
O-C-O in-plane bdeformation
Composition
Fe>0.95, Mg<0.05, Mn<0.04
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
strongly blended
Peak
728.25 ± 0.5 cm-1 (fit peak)
Evaluation
validated
Quality
A
Comments
increases with Mg fraction
FWHM
16.75 ± 1 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
C
Comments
increases with Mg fraction
Method
fit intensity
Relative intensity
0.017 ± 0.003
Strength
very weak (vw)
Evaluation
validated
Quality
D
Method
width x peak intensity
Relative intensity
0.033 ± 0.005
Strength
weak (w)
Evaluation
recommended
Quality
D