Band
Title
1084.0 cm-1: ν1 (A1g) of (CO3)2- in Siderite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1 (A1g) A1g stretching sym. (CO3)2- CO-2/3 no
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)
1084 ± 2 - 9 ± 0.3 asymmetric low frequency wing 1 vs 1 vs 295.0 1
Label
ν1 (A1g)
Symmetry
A1g
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: CO-2/3
Comments
C-O symmetric stretch
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
532.0 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
slightly blended
Peak
1084 ± 2 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
9 ± 0.3 cm-1 (fwhm)
Shape
asymmetric low frequency wing
Evaluation
undefined
Quality
B
Comments
low frequency wing possibly due to 13C and 18O isotopes
Method
peak intensity
Relative intensity
1 ± 1.0e-04
Strength
very strong (vs)
Evaluation
undefined
Quality
A
Method
width x peak intensity
Relative intensity
1
Strength
very strong (vs)
Evaluation
undefined
Quality
undefined