Band
Title
248.5 cm-1: νL,T (B2g) 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 (B2g) B2g 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)
248.5 ± 2 - 10 ± 1 asymmetric 0.01 vw 0.052 w 295.0 1
252.5 ± 1 - 5 ± 1 asymmetric 0.018 vw 0.068 m 80.0
Label
νL,T (B2g)
Symmetry
B2g
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− out-of-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
moderately blended
Peak
248.5 ± 2 cm-1 (various)
Evaluation
validated
Quality
B
FWHM
10 ± 1 cm-1 (fit fwhm)
Shape
asymmetric
Evaluation
validated
Quality
C
Method
peak intensity
Relative intensity
0.01 ± 0.001
Strength
very weak (vw)
Evaluation
undefined
Quality
D
Method
extrapolated
Relative intensity
0.052 ± 0.001
Strength
weak (w)
Evaluation
undefined
Quality
A
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
252.5 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
5 ± 1 cm-1 (fit fwhm)
Shape
asymmetric
Evaluation
validated
Quality
C
Method
other
Relative intensity
0.018 ± 0.001
Strength
very weak (vw)
Evaluation
undefined
Quality
C
Method
fit integrated intensity
Relative intensity
0.068 ± 0.001
Strength
medium (m)
Evaluation
undefined
Quality
A