Band
Title
1087.75 cm-1: ν1 (A1g) of (CO3)2- in Magnesian Siderite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1 (A1g) A1g stretching sym. (CO3)2- ……C…O-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)
1087.75 ± 2.5 - 9.5 ± 1 symmetric 1 vs 1 vs 295.0 1
Band assignment #1
Assignment
Label
ν1 (A1g)
Symmetry
A1g
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(CO3)2-

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: ……C…O-2/3
Comments
C-O symmetric stretch
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
spectrum fit
Fit function
Gaussian
Overlap
isolated
Peak
1087.75 ± 2.5 cm-1 (fit peak)
Evaluation
validated
Quality
B
Comments
increases with Mg fraction
FWHM
9.5 ± 1 cm-1 (fit fwhm)
Shape
symmetric
Evaluation
validated
Quality
C
Comments
slightly increases with Mg fraction
Method
baseline corrected peak intensity
Relative intensity
1
Strength
very strong (vs)
Evaluation
validated
Quality
undefined
Comments
strongest peak: relative reference
Method
width x peak intensity
Relative intensity
1
Strength
very strong (vs)
Evaluation
validated
Quality
undefined
Comments
strongest peak: relative reference
Publications
SSHADE spectra
External spectra