Band
Title
207.0 cm-1: νL,T (B1g) 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 (B1g) B1g 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)
207 ± 1 - - unknown 9.0e-04 ew 0.002 ew 295.0 1
211 ± 1 - 4 ± 1 unknown 6.0e-04 ew 0.001 ew 80.0
Label
νL,T (B1g)
Symmetry
B1g
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− in-plane 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
theory
Overlap
unknown
Peak
207 ± 1 cm-1 (fit peak)
Evaluation
undefined
Quality
B
Shape
unknown
Quality
undefined
Method
extrapolated
Relative intensity
9.0e-04 ± 3.0e-04
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Comments
estimated: width 80K * 2.2
Method
extrapolated
Relative intensity
0.002 ± 0.001
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
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
211 ± 1 cm-1 (fit peak)
Evaluation
validated
Quality
B
FWHM
4 ± 1 cm-1 (fit fwhm)
Shape
unknown
Evaluation
validated
Quality
C
Method
extrapolated
Relative intensity
6.0e-04 ± 3.0e-04
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E
Comments
estimated: width 80K * 21.5
Method
fit integrated intensity
Relative intensity
0.001 ± 0.001
Strength
extremely weak (ew)
Evaluation
undefined
Quality
E