Band
Title
1086.0 cm-1: ν1 (B) of (CO3)2- in Barytocalcite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1 (B) B stretching sym. (CO3)2- CO-2/3 mode degeneracy double
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)
1086 ± 1 - 6.6 asymmetric 1 vs 295.0 1
Label
ν1 (B)
Symmetry
B
Category
fundamental vibration

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 mode degeneracy double

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
Method #1
various
Overlap
slightly blended
Peak
1086 ± 1 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
6.6 cm-1 (fit fwhm)
Shape
asymmetric
Evaluation
undefined
Quality
undefined
Method
baseline corrected peak intensity
Relative intensity
1
Strength
very strong (vs)
Evaluation
undefined
Quality
undefined