Band
Title
1055.0 cm-1: ν1 (A) of (C18OO2)2- in Alstonite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
ν1 (A) A stretching sym. (C18OO2)2- 12C18O-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)
1055 ± 1.5 - 3 ± 1 shoulder 0.012 vw 295.0 1
Label
ν1 (A)
Symmetry
A
Category
fundamental vibration

Evaluation

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

Vibration modes

Label (type)
ν1 (stretching sym.)       Bond: 12C18O-2/3
Comments
12C-18O symmetric stretch of CO32- in the plane of the Ca2+ ions network
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Method #1
various
Overlap
shoulder-tail
Peak
1055 ± 1.5 cm-1 (estimated)
Evaluation
validated
Quality
B
FWHM
3 ± 1 cm-1 (estimated)
Shape
shoulder
Evaluation
undefined
Quality
C
Method
calculated
Relative intensity
0.012 ± 0.007
Strength
very weak (vw)
Evaluation
undefined
Quality
E