Band
Title
111.0 cm-1: νLT (Bg) of (CO3)2- and νLT (Ag) of (CO3)2- in Nahcolite
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- mode degeneracy double
νLT (Ag) Ag translation (CO3)2- 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)
111 ± 1.5 - - undefined 0.55 s 295.0 1
Band assignment #1
Assignment
Label
νLT (Bg)
Symmetry
Bg
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Primary specie
(CO3)2-

Rotation modes

Label (type)
νL (libration)
Comments
HCO3⁻ out-of-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
HCO3⁻ in-plane translation + Na⁺ translation
Label
νLT (Ag)
Symmetry
Ag
Category
phonon mode

Evaluation

Level
fully assigned
Evaluation
undefined
Comments
from theoretical WURM database
# Multiplicity type Degeneracy Other band
1 mode degeneracy double
Primary specie
(CO3)2-

Rotation modes

Label (type)
νL (libration)
Comments
HCO3⁻ out-of-plane libration

Phonon modes

Label (type)
νT (translation)
Comments
Na⁺ translation
Texture
crystal

Temperature

Temperature
295.0 ± 5.0 K

Pressure

Pressure
1 bar
Laser wavelength
532.0 nm
Sample orientation mode
unoriented
Method #1
various
Overlap
slightly blended
Peak
111 ± 1.5 cm-1 (various)
Evaluation
undefined
Quality
B
Shape
undefined
Evaluation
undefined
Quality
undefined
Method
baseline corrected peak intensity
Relative intensity
0.55 ± 0.4
Strength
strong (s)
Evaluation
undefined
Quality
E
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