Band
Title
874.25 cm-1: ν2a (A2g) of (CO3)2- in Ferroan Magnesite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2a (A2g) A2g deformation out-p (CO3)2- (CO3)2- no 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)
874.25 ± 2.75 - 11 ± 2 symmetric 0.004 vvw 0.003 vvw 295.0 1
Label
ν2a (A2g)
Symmetry
A2g
Category
fundamental vibration

Evaluation

Level
partly assigned
Evaluation
validated
Comments
possibly TO LOxy modes
# Multiplicity type Degeneracy Other band
1 no (CO3)2-
Contribution level
extracted

Vibration modes

Label (type)
ν2a (deformation out-p)       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation interacting with Fe2+
Composition
5%
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
874.25 ± 2.75 cm-1 (fit peak)
Evaluation
undefined
Quality
B
FWHM
11 ± 2 cm-1 (fwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Comments
decreases with Mg content - extrapolated to Mg=0.95
Method
peak intensity
Relative intensity
0.004 ± 0.002
Strength
very very weak (vvw)
Evaluation
uncertain
Quality
E
Comments
increases to Mg=0,75 and then decreases with Mg content - extrapolated to Mg=0.95
Method
width x peak intensity
Relative intensity
0.003 ± 0.001
Strength
very very weak (vvw)
Evaluation
uncertain
Quality
E