Band
Title
124.0 cm-1: νL,T (B3g) of (CO3)2- & Ca2+ in Aragonite
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νL,T (B3g) B3g translation (CO3)2-
Ca2+
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)
124 ± 1.5 - 9 ± 3 unknown 0.0016 ew 0.005 vvw 295.0 1
126.5 ± 1 - 3.5 ± 1 unknown 0.0015 ew 0.004 vvw 80.0
Label
νL,T (B3g)
Symmetry
B3g
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
validated
# Multiplicity type Degeneracy Other band
1 no
Primary specie
(CO3)2-
Primary specie
Ca2+

Rotation modes

Label (type)
νL (libration)
Comments
CO32− in-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
Ca2+ translation + CO32− translation
Texture
single crystals and powders

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
isolated
Peak
124 ± 1.5 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
9 ± 3 cm-1 (fit fwhm)
Shape
unknown
Evaluation
validated
Quality
D
Method
extrapolated
Relative intensity
0.0016 ± 0.001
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Method
extrapolated
Relative intensity
0.005 ± 0.001
Strength
very very weak (vvw)
Evaluation
undefined
Quality
D
Texture
single crystals and powders

Temperature

Temperature
80.0 ± 5.0 K
Laser wavelength
514.5 nm
Sample orientation mode
unoriented
Method #1
spectrum fit
Fit function
Voigt
Overlap
isolated
Peak
126.5 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
3.5 ± 1 cm-1 (fit fwhm)
Shape
unknown
Evaluation
validated
Quality
C
Method
other
Relative intensity
0.0015 ± 0.001
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Method
fit integrated intensity
Relative intensity
0.004 ± 0.001
Strength
very very weak (vvw)
Evaluation
undefined
Quality
E