Band
Title
266.0 cm-1: νLT (Bg) of (CO3)2- & Ca2+ and νLT (Ag) of (CO3)2- & Ca2+ in Vaterite
Band type
Type
Raman scattering
Assignments summary
Assignment Symmetry Mode Specie(s) Molecule/Atom Bond Multiplicity Degeneracy Contribution Resonance
νLT (Bg) Bg translation (CO3)2-
 Ca2+ 		mode degeneracy double
νLT (Ag) Ag translation (CO3)2-
 Ca2+ 		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)
266 ± 3 - 33.5 ± 3.5 symmetric 0.105 m 295.0 1
Band assignment #1
Assignment
Label
νLT (Bg)
Symmetry
Bg
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Primary specie
(CO3)2-
Primary specie
Ca2+

Rotation modes

Label (type)
νL (libration)
Comments
mixed libration

Phonon modes

Label (type)
νT (translation)
Comments
Ca2+ translation
Label
νLT (Ag)
Symmetry
Ag
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Primary specie
(CO3)2-
Primary specie
Ca2+

Rotation modes

Label (type)
νL (libration)
Comments
out-of-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
Ca2+ 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
266 ± 3 cm-1 (various)
Evaluation
validated
Quality
C
FWHM
33.5 ± 3.5 cm-1 (various)
Shape
symmetric
Evaluation
undefined
Quality
D
Method
baseline corrected peak intensity
Relative intensity
0.105 ± 0.015
Strength
medium (m)
Evaluation
undefined
Quality
D
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