Band
Title
851.0 cm-1: ν2b (A2u) of (CO3)2- in Magnesian Siderite
Type
Raman scattering
Comments
activated infrared mode for low amount of Mg (5-25%)
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν2b (A2u) A2u 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)
851 ± 3 - 9 ± 4 symmetric 5.0e-04 ew 0.0005 ew 295.0 1
Label
ν2b (A2u)
Symmetry
A2u
Category
fundamental vibration

Evaluation

Level
partly assigned
Evaluation
uncertain
# Multiplicity type Degeneracy Other band
1 no (CO3)2-
Contribution level
extracted

Vibration modes

Label (type)
ν2b (deformation out-p)       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation
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
moderately blended
Peak
851 ± 3 cm-1 (fit peak)
Evaluation
validated
Quality
C
Comments
increases with Mg fraction but disappears above Mg=0.25
FWHM
9 ± 4 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
D
Method
fit intensity
Relative intensity
5.0e-04 ± 0.002
Strength
extremely weak (ew)
Evaluation
validated
Quality
E
Comments
independent of Mg content
Method
width x peak intensity
Relative intensity
0.0005 ± 0.0003
Strength
extremely weak (ew)
Evaluation
recommended
Quality
E