Band
Title
847.5 cm-1: ν2b (A2u) of (CO3)2- in Siderite
Type
Raman scattering
Comments
Inactive in pure Siderite
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 minor
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)
847.5 ± 0.5 - 9.5 ± 0.5 unknown 5.0e-04 ew 0.0006 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
minor

Vibration modes

Label (type)
ν2b (deformation out-p)       Bond: (CO3)2-
Comments
O-C-O out-of-plane deformation
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
847.5 ± 0.5 cm-1 (extrapolated)
Evaluation
with caution
Quality
A
Comments
extrapolated @ Mg=0-0.05
FWHM
9.5 ± 0.5 cm-1 (extrapolated)
Shape
unknown
Evaluation
with caution
Quality
B
Comments
extrapolated @ Mg=0-0.05
Method
estimated
Relative intensity
5.0e-04 ± 5.0e-04
Strength
extremely weak (ew)
Evaluation
with caution
Quality
E
Comments
detection limit
Method
estimated
Relative intensity
0.0006 ± 0.0003
Strength
extremely weak (ew)
Evaluation
with caution
Quality
E
Comments
detection limit